Wu DFT group

Papers published in refereed journals

365.	D. L. Mickelsen, Ruqian Wu, and Clare C. Yu, "Monte Carlo spin simulations of magnetic noise: The search for pivoting”, Phys. Rev. B, 109, 144510 (2024). pdf
364.	Ze-quan Wang, Feng Xue, Liang Qiu, Zhe Wang, Ruqian Wu, Yusheng Hou, "Switching intrinsic magnetic skyrmions with controllable magnetic anisotropy in van der Waals multiferroic heterostructures”, Nano Lett, 24, 4117 (2024). pdf
363.	Wenbo Yang, Yingkai Liu, Yu Ni, Jiangping Hu, Wu-Ming Liu, Ruqian Wu, and Zhaoming Fu, “Origin of interfacial orbital reconstruction in perovskite superlattices”, Phys. Rev. Lett, 132, 126201 (2024). pdf
362.	Dmitri Leo Cordova, Yinong Zhou, Griffin Milligan, Leo Cheng, Tyler Kerr, Joseph Ziller, Ruqian Wu, Maxx Arguilla, “Sensitive thermochromic behavior of InSeI, a highly anisotropic and tubular 1D van der Waals Crystal”, Advanced Materials, 2312597 (2024). pdf
361.	Yi Wu, Yilian Li, Xiaozheng Fan, Yinong Zhou, Chunlan Ma, Shijing Gong, Tianxing Wang, Feng Yang, Ruqian Wu, and Yipeng An, “Electronic transport characteristics and nanodevice designs for β-HfNCl monolayer”, Results in Physics, 57, 107360 (2024). pdf
360.	Feng Xue, Yusheng Hou, Zhe Wang, Zhiming Xu, Ke He, Ruqain Wu, Yong Xu, and Wenhui Duan, "Tunable Quantum Anomalous Hall Effects in Ferromagnetic van der Waals Heterostructures", National Science Review, 11, nwad151 (2024). pdf
359.	Jie Li, Peiru Yang, Wei Ren, and Ruqian Wu, “Pressure-induced switching between topological phases in magnetic van der Waals heterostructures”, Phys. Rev. B, 109, 035419 (2024). pdf
358.	Jinyu Liu, Yinong Zhou, Sebastian Yepez Rodriguez, Matthew A. Delmont, Robert A. Welser, Nicholas Sirica, Kaleb McClure, Paolo Vilmercati, Joseph W. Ziller, Norman Mannella, Javier D. Sanchez-Yamagishi, Michael T. Pettes, Ruqian Wu, Luis A. Jauregui, “Controllable Strain-driven Topological Phase Transition and Dominant Surface State Transport in HfTe5”, Nature Communications, 15, 332 (2024). pdf
357.	Yudong Pang, Xilin Zhang, Mingyang Wang, Zhenpu Shi, Zongxian Yang, Zhansheng Lu, and Ruqian Wu, “Research on the mechanism of interactions between Li/Na/K atoms and electrode materials”, Appl. Phys. Lett., 123, 203905 (2023). pdf
356.	P.J. Zou, Z. Wang, C.C. Yu and R. Q. Wu “Impact of Magnetic Adsorbates on Shallow Nitrogen-Vacancy Centers: Insights from Diamond C(001) Surface Studies”, J. Phys. Chem. C, 127, 18706 (2023). pdf
355.	Yipeng An, Juncai Chen, Yong Yan, Jinfeng Wang, Yinong Zhou, Zhengxuan Wang, Chunlan Ma, Tianxing Wang, Ruqian Wu, Wuming Liu, “Higher-order topological and nodal superconducting transition-metal sulfides MS(M=Nb and Ta)”, Phys. Rev. B, 108, 054519 (2023). pdf
354.	Y. Zhu, Y. F. Pan, L. Ge, J. Y. Fan, D. N. Shi, C. L. Ma, J. Hu, and R. Q. Wu “Separating RKKY interaction from other exchange mechanisms in two-dimensional magnetic materials”, Phys. Rev. B, 108, L041401 (2023). pdf
353.	Huaixun Huyan Huaixun Huyan, Zhe Wang, Linze Li, Xingxu Yan, Yi Zhang, Colin Heikes, Darrell G. Schlom, Ruqian Wu, and Xiaoqing Pan, “Dislocation-Assisted Quasi-Two-Dimensional Semiconducting Nanochannels Embedded in Perovskite Thin Films”, Nano Letters, 23, 5409 (2023). pdf
352.	S. B. Song, Z. Wang, and R. Q. Wu, “Ferroelectric control of magnetic properties of 5d transition metal Monolayers”, Phys. Rev. B, 107, 184436 (2023). pdf
351.	Tom Lee, Ji Qi, Chaitanya A Gadre, Huaixun Huyan, Shu-Ting Ko, Yunxing Zuo, Chaojie Du, Jie Li, Toshihiro Aoki, Caden John Stippich, Ruqian Wu, Jian Luo, Shyue Ping Ong, Xiaoqing Pan, “Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolyte Li0.375Sr0.4375Ta0.75Zr0.25O3”, Nature Communications, 14, 1940 (2023). pdf
350.	Ao Lou, Huahua Fu and Ruqian Wu, “Ga4C-family crystals, a new generation of star thermoelectric materials, induced by band degeneracies, valley anisotropy, strong phonon scattering and others”, Journal of Materials Chemistry A, 11, 7802 (2023). pdf
349.	Jie Li and Ruqian Wu, “Electrically tunable topological phase transition in van der Waals heterostructures”, Nano Letters, 23, 2173 (2023). pdf
348.	Yipeng An, Juncai Chen, Zhengxuan Wang, Jie Li, Shijing Gong, Chunlan Ma, Tianxing Wang, Zhaoyong Jiao, Ruqian Wu, Jiangping Hu, Wuming Liu, “Topological and nodal superconductor kagome magnesium triboride”, Phys. Rev. Matt, 7, 014205 (2023). pdf
347.	Yinong Zhou and Ruqian Wu, “Remote control of spin polarization of topological corner states”, Phys. Rev. B, 107, 035412 (2023). pdf
346.	Su Kong Chong, Peng Zhang, Jie Li, Yinong Zhou, Jingyuan Wang, Huairuo Zhang, Albert V Davydov, Christopher Eckberg, Peng Deng, Lixuan Tai, Jing Xia, Ruqian Wu, Kang L Wang, “Electrical Manipulation of Topological Phases in Quantum Anomalous Hall Insulator”, Advanced Materials, 35, 207622 (2023). pdf
345.	Xingxu Yan, Jie Li, Lei Gu, Chaitanya A. Gadre, Samuel L. Moore, Toshihiro Aoki, Shuopei Wang, Guangyu Zhang, Zhaoli Gao, Dmitri N. Basov, Ruqian Wu, Xiaoqing Pan, “Curvature-Induced One-Dimensional Phonon Polaritons at Edges of Folded Boron Nitride Sheets”, Nano Letter, 22, 9319 (2022). pdf
344.	Lei Gu, Jie Li, and Ruqian Wu, “Reconsidering Spin-Phonon Relaxation in Magnetic Molecules”, J. Magn. Magn. Mater, 564, 170138 (2022). pdf
343.	Lixuan Tai, Jie Li, Su Kong Chong, Huairuo Zhang, Peng Zhang, Peng Deng, Christopher Eckberg, Gang Qiu, Bingqian Dai, Haoran He, Di Wu, Shijie Xu, Albert V. Davydov, Ruqian Wu, and Kang L. Wang, “Distinguishing two-component anomalous Hall effect from topological Hall effect in magnetic topological insulator MnBi2Te4”, ACS Nano, 16, 17336 (2022). pdf
342.	Yu Bai, Zhe Wang, Wisal Muhammad, Lifeng Xiang, Qiang Li, Huilin Lai, Yinyan Zhu, Wenbing Wang, Hangwen Guo, Na Lei, Lifeng Yin, Ruqian Wu and Jian Shen, “Enhanced Anomalous Hall Effect of Pt on an Antiferromagnetic Insulator with Fully Compensated Surface”, Chin. Phys. Lett., 39, 108501 (2022). pdf
341.	Yudong Pang, Zhansheng Lu, Shamraiz Hussain Talib, Xinyuan Li, Mingyang Wang, Xilin Zhang, Zongxian Yang and Ruqian Wu, “Mechanism of Efficient Adsorption of Na Atoms on Electron-Deficient Doped MoS2 for Battery Electrodes”, Phys. Rev. Appl., 18, 034061 (2022). pdf
340.	D. Kirk Lewis, Younghoon Oh, Luke Nambi Mohanam, Micha Wierzbicki, Lei Gu, Allon Hochbaum, Ruqian Wu, Qiang Cui, and Sahar Sharifzadeh, “Electronic Structure of de Novo Peptide ACC-Hex from First Principles”, J. Phys. Chem. B, 126, 4289 (2022). pdf
339.	Shaowei Li, Gregory Czap, Jie Li, Yanxing Zhang, Arthur Yu, Dingwang Yuan, Hikari Kimura, Ruqian Wu and Wilson Ho, “Confinement-Induced Catalytic Dissociation of Hydrogen Molecules in a Scanning Tunneling Microscope”, J. Am. Chem. Soc., 144, 9618 (2022). pdf
338.	Chaitanya A. Gadre, Xingxu Yan, Qichen Song, Jie Li, Lei Gu, Toshihiro Aoki, Sheng-Wei Lee, Gang Chen, Ruqian Wu, and Xiaoqing Pan, “Nanoscale Imaging of Phonons Dynamics by Electron Microscopy", Nature, 606, 292 (2022). pdf
337.	Yusheng Hou, Feng Xue, Liang Qiu, Zhe Wang and R. Q. Wu, “Multifunctional Two-dimensional van der submitted. Waals Janus Magnet Cr-based Dichalcogenide Halides”, npj Computational Materials, 8, 120 (2022). pdf
336.	Chloe Groome, Huong Ngo, Jie Li, Chen Santillan Wang, Ruqian Wu, Regina Ragan, “Influence of Magnetic Moment on Single Atom Catalytic Activation Energy Barriers”, Cata. Lett. 152, 1347 (2022). pdf
335.	S. B. Song, Z. Wang, J. Li, and R. Q. Wu, “First-principles determination of magnetic properties of CoCp2 on the Cr(001) surface”, Phys. Rev. B 105, 064415 (2022). pdf
334.	Jie Li, and Ruqian Wu, “Ferroelectrics and Photovoltaics in Endohedral Fullerenes-based van der Waals Heterostructure”, Appl. Phys. Lett. 120, 023301 (2022). pdf
333.	Jie Li, Lei Gu, and Ruqian Wu, “Slow spin relaxation in single endohedral fullerene molecules”, Phys. Rev. B 104, 224431 (2021). pdf
332.	Yipeng An, Jie Li, Kun Wang, Guangtao Wang, Shijing Gong, Chunlan Ma, Tianxing Wang, Zhaoyong Jiao, Xiao Dong, Guoliang Xu, Ruqian Wu, and Wuming Liu, “Superconductivity and topological properties of MgB2-type diborides from first principles”, Phys. Rev. B 104, 134510 (2021). pdf
331.	Hualei Sun, Cuiqun Chen, Yusheng Hou, Weiliang Wang, Yu Gong, Mengwu Huo, Lisi Li, Jia Yu, Wanping Cai, Naitian Liu, Ruqian Wu, Dao-Xin Yao, Meng Wang, “Magnetism variation of the compressed antiferromagnetic topological insulator EuSn2As2”, Sci. China Phys., Mech. & Astron. 64, 118211 (2021). pdf
330.	Qian Sun, Jie Li, Yi Li, Zongxian Yang, and Ruqian Wu, “Cr2NX2 MXene (X = O, F, OH): A 2D ferromagnetic half-metal”, Appl. Phys. Lett. 119, 062404 (2021). pdf
329.	Jie Li and R. Q. Wu, “Bias-tunable two-dimensional magnetic and topological materials”, Nanoscale 13, 12513 (2021). pdf
328.	Qing-Bo Liu, Hua-Hua Fu, and Ruqian Wu, “Topological phononic nodal hexahedron net and nodal links in the high-pressure phase of the semiconductor CuCl”, Phy. Rev. B 104, 045409 (2021). pdf
327.	B. H. Zhang, Z. Wang, R. Q. Wu, “First-principles studies of the unconventional spin-phonon coupling mediated by spin-orbit coupling in pyrochlore Cd2Os2O7”, Phy. Rev. B 104, 024411 (2021). pdf
326.	Y. S. Hou, S. Ardo, and R. Q. Wu, “Hybrid density functional study of band gap engineering of SrTiO3 photocatalyst via doping for water splitting”, Phys. Rev. Mater. 5, 065801 (2021). pdf
325.	X Yang, X Zhang, Z Lu, Z Yang, and R Wu, “Design of Highly Stable and Efficient Bifunctional MXene-Based Electrocatalysts for Oxygen Reduction and Evolution Reactions”, Phys. Rev. Appl. 15, 044053 (2021). pdf
324.	Lei Gu and Ruqian Wu, “Robust Cortical Criticality and Diverse Neural Network Dynamics Resulting from Functional Specification”, Phys. Rev. E, 103, 042407 (2021). pdf
323.	Yipeng An, Kun Wang, Shijing Gong, Yusheng Hou, Chunlan Ma, Mingfu Zhu, Chuanxi Zhao, Tianxing Wang, Shuhong Ma, Heyan Wang, Ruqian Wu, and Wuming Liu, “Nanodevices engineering and spin transport properties of MnBi2Te4 monolayer”, npj Computational Materials, 7, 45 (2021). pdf
322.	J. Li and R.Q. Wu, “Two-dimensional multifunctional materials from endohedral fullerenes”, Phys. Rev. B, 103, 115417 (2021). pdf
321.	Y.S. Hou and R.Q. Wu, “Alloying vanadium in MnBi2Te4 for robust ferromagnetic coupling and quantum anomalous Hall effect”, Phys. Rev. B, 103, 064412 (2021). pdf
320.	B.H. Zhang, Y.S. Hou, Z. Wang, R.Q. Wu, “Tuning Dzyaloshinskii-Moriya Interactions in Magnetic Bilayers with Ferroelectric Substrate”, Phys. Rev. B, 103, 054417 (2021). pdf
319.	Lei Gu, and Ruqian Wu, “Origins of anomalous Raman exponents in single molecule magnets”, Phys. Rev. B, 103, 014401 (2021). pdf
318.	Xingxu Yan, Chengyan Liu, Chaitanya A. Gadre, Lei Gu, Toshihiro Aoki, Tracy C. Lovejoy, Niklas Dellby, Ondrej L. Krivanek, Darrell G. Schlom, Ruqian Wu and Xiaoqing Pan, “Single-defect phonons imaged by electron microscopy”, Nature, 589 , 65 (2021). pdf
317.	Jie Li and Ruqian Wu, “Metal-organic Frameworks: Possible New Two-Dimensional Magnetic and Topological van der Waals materials”, Nanoscale 12, 23620 (2020). pdf
316.	Lei Gu and Ruqian Wu “Density functional study of relaxation of adsorbate vibration modes: Dominance of anharmonic interaction”, J. Chem. Phys. 153, 184703 (2020). pdf
315.	J. Karel, D.S. Bouma, C. Fuchs, S. Bennett, P. Corbae, S.B. Song, B.H. Zhang, R.Q. Wu, F. Hellman, “Anomalous Hall Angle in Amorphous Transition Metal Thin Films”, Phys. Rev. Mater. 4, 114105 (2020). pdf
314.	Zhaoming Fu, Bowen Yang, and Ruqian Wu, “Understanding the activity of single-atom catalysis from Frontier Orbitals”, Phys. Rev. Lett, 125, 156001(2020). pdf
313.	Lei Gu, and Ruqian Wu, “Origins of slow magnetic relaxation in single-molecule magnets”, Phys. Rev. Lett, 125, 117203 (2020). pdf
312.	Jie Li, Lei Gu, and Ruqian Wu, “Stable giant magnetic anisotropy energy and long coherence time of uranium adatoms on defect aluminum oxide”, Phys. Rev. B, 102, 054406 (2020). pdf
311.	Yipeng An, Yusheng Hou, Kun Wang, Shi-Jing Gong, Chuanxi Zhao, Tian-Xing Wang, Zhao-Yong Jiao, Heyan Wang, and Ruqian Wu, "Multifunctional Lateral Transition-Metal Disulfides Heterojunctions", Advanced Functional Mater., 30 , 2002939 (2020). pdf
310.	Gui-Fang Du, Hua-Hua Fu, and Ruqian Wu, “Vibration-enhanced spin-selective transport of electrons in the DNA double helix”, Phys. Rev. B, 102 , 035431 (2020). pdf
309.	D.W. Yuan, Y.N. Zhang, W. Ho, and R.Q. Wu, "Effect of van der Waals interactions in density functional studies of adsorption, catalysis and tribology" J. Phys. Chem. C, 124 , 16926 (2020). pdf
308.	Lu, Zhansheng; Cheng, Yingjie; Li, Shuo; Yang, Zongxian; Wu, Ruqian, "CO2 thermoreduction to methanol on the MoS2 supported single Co atom catalyst: A DFT study", Appl. Surf. Sci., 528 , 147047 (2020). pdf
307.	Xinwei Yang, Yanxing Zhang, Zhaoming Fu, Zhansheng Lu, Xilin Zhang, Yan Wang, Zongxian Yang, Ruqian Wu, “Tailoring Electronic Structure of Transition Metals by V2C MXene Support: Excellent Oxygen Reduction Performance Triggered by Metal-Support Interactions”, ACS Appl. Mater. & Interface, 12 , 28206 (2020). pdf
306.	Mei Fang, Yanmei Wang, Hui Wang, Yusheng Hou, Eric Vetter, Yunfang Kou, Wenting Yang, Lifeng Yin, Zhu Xiao, Zhou Li, Lu Jiang, Ho Nyung Lee, Shufeng Zhang, Ruqian Wu, Xiaoshan Xu, Dali Sun, Jian Shen, “Tuning the interfacial spin-orbit coupling with ferroelectricity", Nature Communications, 11 , 2627 (2020). pdf
305.	Feng Xue, Zhe Wang, Yusheng Hou, Lei Gu, Ruqian Wu, “Control magnetic properties of MnBi2Te4 with a van der Waals ferroelectric III2-VI3 film and biaxial strain", Phys. Rev. B, 101, 184426 (2020). pdf
304.	Y. Zhu, J. Y. Fan, and R. Q. Wu, “Extended NdJ relationship with the size, multiple exchanges and Dzyaloshinskii-Moriya interaction for Neel skyrmions in hexagonal magnetic Interfaces", J. Magn. Magn. Mater., 507 , 166805 (2020). pdf
303.	P. J. Zuo, H. Wang, Zhe Wang, R.Q. Wu, “Large Magnetic Anisotropy of Single Transition Metal Adatoms on WS2", J. Magn. Magn. Mater., 506, 166796 (2020). pdf
302.	Y. S. Hou, J. W. Kim, and R. Q. Wu, “Axion insulator state in ferromagnetically ordered CrI3/Bi2Se3/MnBi2Se4 heterostructure", Phys. Rev. B, 101, 121401(R) (2020). pdf
301.	Yipeng An, Yusheng Hou, Shijing Gong, Ruqian Wu, Chuanxi Zhao, Tianxing Wang, Zhaoyong Jiao, Heyan Wang, Wuming Liu, “Evaluating the exfoliation of two-dimensional materials with a Green's function surface model", Phys. Rev. B, 101, 75416 (2020). pdf
300.	Jie Li, Lei Gu and Ruqian Wu, “Transition-metal phthalocyanine monolayers as new Chern insulators”, Nanoscale, 12 , 3888 (2020). pdf
299.	Jie Li, Lei Gu and Ruqian Wu, “Possible Realization and Protection of Valley-Polarized Quantum Anomalous Hall Effect in Mn/WS2”, Phys. Rev. B, 101, 024412 (2020). pdf
298.	Xingxu Yan, Feng Xue, Jingying Zheng, Lin Xie, Yi Zhang, Mingjie Xu, Mian Zhang, Liying Jiao, Ruqian Wu, Peng Wang and Xiaoqing Pan, “Anomalous Linear Layer-Dependent Blue Shift of Ultraviolet-Range Interband Transition in Two-Dimensional MoS2”, J. Phys. Chem. C, 124 , 1609 (2020). pdf
297.	D. S. Bouma, Z. Chen, B. Zhang, F. Bruni, M. E. Flatte, R. Streubel, L.-W. Wang, R. Q. Wu, and F. Hellman, “Itinerant ferromagnetism and intrinsic anomalous Hall eﬀect in amorphous iron-germanium”, Phys. Rev. B, 101, 014402 (2020). pdf
296.	Yipeng An, Shijing Gong, Yusheng Hou, Jie Li, Ruqian Wu, Zhaoyong Jiao, Tianxing Wang, and Jutao Jiao, “MoB2: a new multifunctional transition metal diboride monolay”, J. Phys.: Cond. Matter, 32, 055503 (2020). pdf
295.	Feng Xue, Yusheng Hou, Zhe Wang, and Ruqian Wu, “Two-dimensional ferromagnetic van der Waals CrCl3 monolayer with enhanced anisotropy and Curie temperature”, Phys. Rev. B, 100, 224429 (2019). pdf
294.	Binghua Zhang, Yusheng Hou, Zhe Wang, and Ruqian Wu, “First-principles studies of spin-phonon coupling in Cr2Ge2Te6 monolayer”, Phys. Rev. B, 100, 224427 (2019). pdf
293.	Wenpei Gao, Christopher Addiego, Hui Wang, Xingxu Yan, Yusheng Hou, Dianxiang Ji, Colin Heikes, Yi Zhang, Linze Li, Huaixun Huyan, Thomas Blum, Toshihiro Aoki, Yuefeng Nie, Darrell Schlom, Ruqian Wu, Xiaoqing Pan, “Real-space charge-density imaging with sub-ångstrom resolution by four-dimensional electron microscopy”, Nature, 575 , 480 (2019). pdf
292.	Xingxu Yan, Chengyan Liu, Chaitanya A. Gadre, Sheng Dai, Lei Gu, Kehang Yu, Toshihiro Aoki, Ruqian Wu, and Xiaoqing Pan, “Unexpected strong thermally-induced phonon energy shift for mapping local temperature”, Nano Lett, 19 , 7494 (2019). pdf
291.	B.H. Zhang, Z. Wang, Y.N. Zhang, and R.Q. Wu, “Effect of structural disordering on magnetic and magneto-optical properties of Fe3Si”, Phys. Rev. Mater, 3 , 095602 (2019). pdf
290.	Gregory Czap, Peter J. Wagner, Jie Li, Feng Xue, Jiang Yao, R. Wu, and W. Ho, “Detection of spin-vibration states in single magnetic molecules”, Phys. Rev. Lett, 123 , 106803 (2019). pdf
289.	Hua-Hua Fu, Gui-Fang Du, Dan-Dan Wu, Qing-Bo Liu, and Ruqian Wu, “Spin-orbit coupling induced robust spin-Seebeck effect and pure thermal spin currents in achiral molecule systems” , Phys. Rev. B, 100, 085407 (2019). pdf
288.	Qing-Bo Liu, Hua-Hua Fu, Gang Xu, Rui Yu, and Ruqian Wu, “Categories of phononic topological Weyl Nodal straight lines and a perfect material candidate: Rb2Sn2O3” , J. Phys. Chem. Lett, 10, 4045 (2019). pdf
287.	S. J. Xu, J. Y. Shi, Y. S. Hou, R.Q. Wu, S.M. Zhou, Z. Shi, and W. J. Fan, “Tuning of intrinsic magnetic damping parameter in epitaxial CoNi (001) films: Role of the band filling effect”, Phys. Rev. B, 100, 024403 (2019). pdf
286.	Yipeng An, Yusheng Hou, Hui Wang, Jie Li, Ruqian Wu, Tianxing Wang, Haixia Da, and Jutao Jiao, “Unveiling the electric-current-limiting and photodetection effect in two-dimensional hydrogenated borophene”, Phys. Rev. Appl, 11, 064031 (2019). pdf
285.	Hongyan Chen, Yang Yu, Zhe Wang, Yu Bai, Hanxuan Lin, Xiaolong Li, Hao Liu, Tian Miao, Yunfang Kou, Yongsheng Zhang, Yan Li, Jin Tang, Zechao Wang, Peng Cai, Yinyan Zhu, Zhaohua Cheng, Xiaoyan Zhong, Wenbin Wang, Xinyu Gao, Ruqian Wu, Lifeng Yin, Jian Shen, “Thickness-driven first-order phase transitions in manganite ultrathin films”, Phys. Rev. B, 99, 214419 (2019). pdf
284.	Yusheng Hou, Jeongwoo Kim, and Ruqian Wu, “Magnetizing topological surface states of Bi2Se3 with a CrI3 monolayer”, Science Advances, 5, eaaw1874 (2019). pdf
283.	Yipeng An, Yusheng Hou, Hui Wang, Jie Li, Ruqian Wu, Chengyan Liu, Tianxing Wang, Jutao Jiao, “Multifunctional 2D CuSe monolayer nanodevice”, J. Phys. Cond. Matter, 31, 355301 (2019). pdf
282.	Hui Wang and Ruqian Wu, “First-principles investigation of the effect of substitution and surface adsorption on magnetostrictive performance of Fe-Ga alloys”, Phys. Rev. B, 99, 205125 (2019). pdf
281.	Gregory Czap, Peter J. Wagner, Feng Xue, Lei Gu, Jie Li, Jiang Yao, Ruqian Wu, and W. Ho, “Probing and imaging spin interactions with a magnetic single-molecule sensor”, Science, 364, 670 (2019). pdf
280.	Yusheng Hou, and Ruqian Wu, “Strongly enhanced gilbert damping in 3d transition-metal ferromagnet monolayers in contact with the topological insulator Bi2Se3”, Phys. Rev. Appl., 11, 054032 (2019).pdf
279.	Yusheng Hou, and Ruqian Wu, “Axion insulator state in a ferromagnet/topological insulator/antiferromagnet heterostructure”, Nano Lett, 19, 2472 (2019). pdf
278.	Mark Lohmann, Tang Su, Ben Niu, Yusheng Hou, Mohammed Alghamdi, Mohammed Aldosary, Wenyu Xing, Jiangnan Zhong, Shuang Jia, Wei Han, Ruqian Wu, Yongtao Cui, and Jing Shi, “Probing magnetism in insulating Cr2Ge2Te6 by induced anomalous hall Effect in Pt”, Nano Lett., 19, 2397 (2019).pdf
277.	Y. Zhu, Y. F. Pan, Z. Q. Yang, X. Y. Wei, J. Hu, Y. P. Feng, H. Zhang and R. Q. Wu “Ruderman–Kittel–Kasuya–Yosida Mechanism for Magnetic Ordering of Sparse Fe Adatoms on Graphene”, J. Phys. Chem. C, 123, 4441 (2019).pdf
276.	Zhansheng Lu, Yudong Pang, Shuo Li, Yile Wang, Zongxian Yang, Dongwei Ma, Ruqian Wu, “Phosphorene: A promising metal free cathode material for proton exchange membrane fuel cell”, Appl. Sur. Sci., 479, 590 (2019).pdf
275.	Shaowei Li, Gregory Czap, Hui Wang, Likun Wang, Siyu Chen, Arthur Yu, Ruqian Wu, and Wilson Ho, “Bond-selected photodissociation of single molecules adsorbed on Metal Surfaces”, Phys. Rev. Lett., 122, 077401 (2019). pdf
274.	Xiaofang Yang, Jun Hu, Ruqian Wu, and Bruce E. Koel, “Balancing activity and stability in a ternary Au‐Pd/Fe electrocatalyst for ORR with high surface coverages of Au”, ChemCatChem, 11, 693(2019).pdf
273.	Michael Van Order, Shayandev Sinha, Hui Wang, Ruqian Wu, Karen Gaskell, and Alison Flatau, “Non-destructive surface energy measurements on (100) Galfenol”, Advanced Theory and Simulations, 2, 1800043 (2019).pdf
272.	Yipeng An, Jutao Jiao, Yusheng Hou, Hui Wang,Ruqian Wu，Chengyan Liu,Xuenian Chen, Tianxing Wang, Kun Wang, “Negative Differential Conductance effect and electrical anisotropy of 2D ZrB2 Monolayers”, J of Phys: Cond. Mater, 31, 065301 (2019).pdf
271.	Li Ma, Lili Lang, Jeongwoo Kim, Zhe Yuan, Ruqian Wu, Shiming Zhou and Xuepeng Qiu, “Spin diffusion length and spin Hall angle in Pd1−xPtx/YIG heterostructures: Examination of spin relaxation mechanism”, Phys. Rev. B 98, 224424 (2018).pdf
270.	Yi Zhang, Haidong Lu, Lin Xie, Xingxu Yan, Tula R. Paudel, Jeongwoo Kim, Xiaoxing Cheng, Hui Wang, Colin Heikes, Linze Li, Mingjie Xu, Darrell G. Schlom, Longqing Chen, Ruqian Wu, Evgeny Y. Tsymbal, Alexei Gruverman, and Xiaoqing Pan, “Anisotropic polarization-induced conductance at a ferroelectric–insulator interface”, Nature Nanotechnology, 13, 1132 (2018).pdf
269.	Wenpei Gao, Yusheng Hou, Zachary Hood, Xue Wang, Karren More, Ruqian Wu, Younan Xia, Xiaoqing Pan, and Miaofang Qi, “Direct in situ observation and analysis of the formation of palladium nanocrystals with high-index facets”, Nano Lett, 18, 7004 (2018).pdf
268.	K. Hatsuda, H. Mine1, T. Nakamura, J. Li, R. Wu, S. Katsumoto, J. Haruyama, “Evidence for a quantum spin Hall phase in graphene decorated with Bi2Te3 nanoparticles”, Science Advances, 4, eaau6915 (2018).pdf
267.	Dan-Dan Wu, Hua-Hua Fu, Qing-Bo Liu, and Ruqian Wu, “How to realize spin-Seebeck effect with a high spin figure of merit in magnetic boron-nitrogen nanoribbon and nanotube structures?”, Journal of Materials Chemistry C, 6, 10603(2018).pdf
266.	Chen S. Wang, Hui Wang, Ruqian Wu, and Regina Ragan, “Evaluating the stability of single-atom catalysts with high chemical activity”, J. Phys. Chem. C. 122, 21919 (2018).pdf
265.	Dan-Dan Wu, Hua-Hua Fu, Qing-Bo Liu, Gui-Fang Du, and Ruqian Wu, “Magnetic nanotubes: A new material platform to realize a robust spin-Seebeck effect and a perfect thermal spin-filtering effect”, Phys. Rev. B 98, 115422 (2018).pdf
264.	C. Zhou, Y. P. Liu, Z. Wang, S. J. Ma, M. W. Jia, R.Q. Wu, L. Zhou, W. Zhang, M. K. Liu, Y. Z. Wu, and J. Qi, "Broadband terahertz generation via the interface inverse rashba-edelstein effect”, Phys. Rev. Lett. 121, 086801 (2018). pdf
263.	Jeongwoo Kim, Yusheng Hou, Noejung Park, Ruqian Wu, “Zero Hall conductivity and its electronic origin in Cr-doped topological insulator”, Phys. Rev. B 98, 081117R (2018).pdf
262.	XingYi Tan, DanDan Wu, QingBo Liu, Hua-Hua Fu and Ruqian Wu, “Spin caloritronics in armchair silicene nanoribbons with sp3 and sp2-type alternating hybridizations”, J. of Phys: Cond. Matt., 30, 355303 (2018).pdf
261.	Y. An, J. Jiao, Y. Hou, H. Wang, D. Wu, T. Wang, Z. Fu, G. Xu and R. Wu, “How does the electric current propagate through fully-hydrogenated borophene?”, Phys. Chem. Chem. Phys., 20, 21552 (2018).pdf
260.	H.H. Fu and R.Q. Wu, "New topological states in HgTe quantum wells from defect patterning ", Nanoscale,10,15462(2018).pdf
259.	Z. Wang, H. Wang, C.C. Yu, and R.Q. Wu, “Hydrogen as a source of flux noise in SQUIDs”, Phys. Rev. B, 98, 020403（R）(2018).pdf
258.	J. Karel, D. S. Bouma, J. Martinez, Y. N. Zhang, J.A. Gifford, J. Zhang, G.J. Zhao, D.R. Kim, B.C. Li, Z.Y. Huang, R.Q. Wu, T.Y. Chen, and F. Hellman, “Enhanced spin polarization of amorphous FexSi1-x thin films revealed by Andreev reflection spectroscopy”, Phys. Rev. Mater., 2, 064411 (2018).pdf
257.	M. Costa, A. T. Costa, J. Hu, R. Q. Wu, and R. B. Muniz, “β-tungsten: a promising metal for spintronics”, J. Phys. Cond. Matter, 30, 305802 (2018).pdf
256.	Bowen Yang, Everardo Molina, Jeongwoo Kim, David Barroso, Mark Lohmann, Yawen Liu, Yadong Xu, Ruqian Wu, Ludwig Bartels, Kenji Watanabe, Takashi Taniguchi and Jing Shi, “Effect of distance on photoluminescence quenching and proximity-induced spin-orbit coupling in Graphene/WSe2 heterostructures”, Nano Letters, 18, 3580 (2018).pdf
255.	Tao Liu, Yufan Li, Lei Gu, Junjia Ding, Houchen Chang, P. A. Praveen Janantha, Boris Kalinikos, Valentyn Novosad, Axel Hoffmann, Ruqian Wu, C. L. Chien, and Mingzhong Wu, “Nontrivial nature and penetration depth of topological surface states in SmB6 thin films”, Phys. Rev. Lett. 120, 207206 (2018).pdf
254.	J. Li, H. Wang,DingSheng Wang, R.Q. Wu, “Protected giant magnetic anisotropy in two-dimensional materials: Transition-metal adatoms on defected tungsten disulfide monolayer”, J. Magn. Magn. Mater. 462, 167 (2018).pdf
253.	Arthur Yu, Shaowei Li, Hui Wang, Siyu Chen, Ruqian Wu and W. Ho, “Visualization of nanoplasmonic coupling to molecular orbital in light emission induced by tunneling electrons”, Nano Letters 18, 3076 (2018).pdf
252.	Jeongwoo Kim and Ruqian Wu, “Manipulating the one-dimensional topological edge state of Bi bilayer nanoribbons via magnetic orientation and electric field”, Phys. Rev. B, 97, 115151 (2018).pdf
251.	Jun Hu, Peng Wang, Jijun Zhao, and Ruqian Wu, “Engineering magnetic anisotropy in two-dimensional magnetic materials”, Advance in Physics X, 3, 1432415 (2018).pdf
250.	Jeongwoo Kim, Hui Wang, and Ruqian Wu, “Importance of Coulomb correlation on the quantum anomalous Hall effect in V-doped topological insulators”, Phys. Rev. B, 97, 125118 (2018).pdf
249.	Yi Zhang, Lin Xie, Jeongwoo Kim, Alex Stern, Hui Wang, Kui Zhang, Xingxu Yan, Linze Li, Henry Liu, Gejian Zhao, Hang Chi, Chaitanya Gadre, Qiyin Lin, Yichun Zhou, Ctirad Uher, Tingyong Chen, Yinghao Chu, Jing Xia, Ruqian Wu, and Xiaoqing Pan, “Discovery of a magnetic conductive interface in PbZr0.2Ti0.8O3 /SrTiO3 heterostructures”, Nature Communications, 9, 685 (2018).pdf
248.	Xilin Zhang, Zongxian Yang, and Ruqian Wu, “A Au monolayer on WC(0001) with unexpected high activity towards CO oxidation”, Nanoscale,10,4753(2018).pdf
247.	B. Li, H. Wang,Y. Kawakita, Q. Zhang, M. Feygenson, H. L. Yu, D. Wu, K. Ohara, T. Kikuchi, K. Shibata, T. Yamada,X. K. Ning, Y. Chen, J. Q. He, D. Vaknin, R. Q. Wu, K. Nakajima and M. G. Kanatzidis, “Liquid-like thermal conduction in intercalated layered crystalline solids”, Nature Materials, 17, 226 (2018).pdf
246.	Jinwoong Kim, Jeongwoo Kim, Young-Sun Song，Ruquian Wu, Seung-Hoon Jhi and Nicholas Kioussis,“Weyl node assisted conductivity switch in interfacial phase-change memory with van der Waals interfaces”, Phys. Rev. B, 96, 235304 (2017).pdf
245.	Dan-Dan Wu, Qing-Bo Liu, Hua-Hua Fu, and Ruqian Wu, “How to realize a spin-dependent Seebeck diode effect in metallic zigzag γ-graphyne nanoribbons?”, Nanoscale, 9, 18334 (2017).pdf
244.	J.W. Kim, S.H. Jhi, A.H. MacDonald, and R.Q. Wu, “Ordering mechanism and quantum anomalous Hall effect of magnetically doped topological insulators”, Phys. Rev. B 96, 140410 (R) (2017).pdf
243	S. Thomas, B. Kuiper, J. Hu, J. Smit, Z. Liao, Z. Zhong, G. Rijnders, A. Vailionis, R. Wu, G. Koster, J. Xia, “Localized control of curie temperature in perovskite oxide film by capping-layer-induced octahedral distortion”, Phys. Rev. Lett. 119, 177203 (2017).pdf
242.	Shaowei Li, Siyu Chen, Jie Li, Ruqian Wu and Wilson Ho, “Joint space-time coherent vibration driven conformational transitions in a single molecule”, Phys. Rev. Lett. 119, 176002 (2017).pdf
241.	Z.M. Han, G. Czap, C-l Chiang, C. Xu, X.Y. Wei, Y.X. Zhang, R.Q. Wu, and W. Ho, “Imaging the halogen bond in self-assembly halogenbenzenes on silver”,Science, 358, 206 (2017).pdf
240.	Y.F. Kou, T. Miao, H. Wang, L. Xie, Y.M. Wang, H.X. Lin, S.S. Wang, H. Liu, Y. Bai, Y.Y. Zhu, J. Shao, P. Cai, W.B. Wang, H.F. Du, X.Q. Pan, R.Q. Wu, L.F. Yin and J. Shen, “A strain-induced new phase diagram and unusually high curie temperature in manganites”, J. Mate. Chem. C, 5, 7813 (2017).pdf
239.	S. Dai, Y.S. Hou, M. Onoue, S.Y. Zhang, W.P. Gao, X.X. Yan, G. W. Graham, R.Q. Wu, and X.Q. Pan, “Revealing surface elemental composition and dynamic processes involved in facet-dependent oxidation of Pt3Co nanoparticles via in situ transmission electron microscopy”, Nano Lett. 17, 4683 (2017).pdf
238.	J.W. Kim, K.W. Kim, H. Wang, J. Sinova, and R.Q. Wu, “Understanding the giant enhancement of exchange interaction in Bi2Se3-EuS heterostructures”, Phys. Rev. Lett., 119, 027201 (2017).pdf
237.	S. Dai, Y. You, S.Y. Zhang, W. Cai, M. Xu, L. Xie, R.Q. Wu, G.W. Graham, X.Q. Pan, “In-situ atomic-scale observation of oxygen-driven core-shell formation in Pt3Co nanoparticles”, Nature Commun. 8, 204 (2017).pdf
236.	Z.S. Lu, P. Lv, Z.X. Yang, S. Li, D.W. Ma and R.Q. Wu, “A promising single atom catalyst for CO oxidation: Ag on boron vacancies of h-BN sheet”, Phys. Chem. Chem. Phys. 19, 16795 (2017).pdf
235.	Hui Wang, D. Lu, J. Kim, Z. Wang, S. T. Pi and R. Q. Wu, “Searching for large-gap quantum spin hall insulators: boron-nitride/(Pb,Sn)/α-Al2O3 sandwich structures”, Nanoscale, (2017).pdf
234.	Yudan Su, Hua Wang, Jie Li, Chuanshan Tian, Ruqian Wu, Xiaofeng Jin and Y. R. Shen, “Absence of detectable MOKE signals from spin hall effect in metals”, Appl. Phys. Lett. 110, 042401 (2017).pdf
233.	Z.M. Han, G. Czap, C. Xu, C-l Chiang, Dingwang Yuan, R.Q. Wu, and W. Ho, “Probing intermolecular coupled vibrations between two molecules”, Phys. Rev. Lett. 118, 036801 (2017).pdf
232.	Shu-Ting Pi, Hui Wang, Jeongwoo Kim, Ruqian Wu, Yin-Kuo Wang, and Chi-Ken Lu,“New class of 3D topological insulator in double perovskite”, J. Phys. Chem. Lett. 8，332 (2017).pdf
231.	Z.M. Han, X.Y. Wei, C. Xu, C.L. Chiang, Y.X. Zhang, R.Q. Wu, and W. Ho, “Imaging van der waals interactions”, J. Phys. Chem. Lett. 7, 5205 (2016).pdf
230.	Z.Q. Zhang, Y.R. Yang, H.H. Fu, and R.Q. Wu, “Design of spin-Seebeck diode with spin semiconductors”, Nanotechnology, 27, 505201 (2016).pdf
229.	P. Kumar, S. Sendelbach, M. A. Beck, J. W. Freeland, Z. Wang, H. Wang, C. C. Yu, R. Q. Wu, D. P. Pappas, R. McDermott, “Origin and reduction of 1/f magnetic flux noise in superconducting devices”, Phys. Rev. Appl(Lett), 6, 041001 (2016).pdf
228.	W.C. Yu, J. Lan, R.Q. Wu, and J. Xiao, “Magnetic snell's law and spin-wave fiber with Dzyaloshinskii-Moriya interaction”, Phys. Rev. B 94, 140410(R), (2016).pdf
227.	J.W. Kim, S.H. Jhi, and R.Q. Wu, “Engineering topological surface states of Cr-doped Bi2Se3 films by spin reorientation and electric field”, Nano Lett., 16, 6656 (2016).pdf
226.	L. Ma, H. A. Zhou, L. Wang, X. L. Fan, W. J. Fan, D. S. Xue, K. Xia, Z. Wang, R. Q. Wu, G. Y. Guo, and S. M. Zhou, “Spin orbit coupling controlled spin pumping and spin Hall magnetoresistance effects”, Advanced Electronic Materials, 160112 (2016).pdf
225.	Bowen Yang, Min-Feng Tu, Jeongwoo Kim, Yong Wu, Hui Wang, Jason Alicea, Ruqian Wu, Marc Bockrath, and Jing Shi, “Tunable spin-orbit coupling and symmetry-protected edge states in graphene/WS2”, 2D Materials, 3, 031012 (2016).pdf
224.	L. Gu, H.H. Fu, and R.Q. Wu “How to control spin-Seebeck current in a metal-quantum dot-magnetic insulatorjunction”, Phys. Rev. B, 94 115433 (2016).pdf
223.	H. Wang, S. T. Pi, J. Kim, Z. Wang, H. H. Fu and R. Q. Wu, “Possibility of realizing quantum spin hall effect at room temperature in Stanene/Al2O3(0001)”, Phys. Rev. B, 94, 035112 (2016).pdf
222.	Ganesh Raghunath, Alison B. Flatau, Hui Wang and Ruqian Wu,“Magnetoelastic auxetic-like behavior in Galfenol: Experimental data and simulations”, Physica Status Solidi B,253,1440 (2016). pdf
221.	H. Y. He, S. T. Pi, Z. Q. Bai, M. Banik, V. A. Apkarian, and R. Q. Wu, “Stark effect and nonlinear impedance of the asymmetric Ag-CO-Ag Junction: An optical rectenna”, J. Phys. Chem. C, 120,20914(2016). pdf
220.	David Ellsworth, Lei Lu, Jin Lan, Houchen Chang, Peng Li, Zhe Wang, Jun Hu, Bryan Johnson, Yuqi Bian, Jiang Xiao, Ruqian Wu and Mingzhong Wu, “Photo-spin-voltaic effect”, Nature Physics, 12,861(2016). pdf
219.	B. Li, X. H. Luo, H. Wang, W. J. Ren, S. Yano, C.-W. Wang, J. S. Gardner, K.-D. Liss, P. Miao, S.-H. Lee, T. Kamiyama, R. Q. Wu, Y. Kawakita, and Z. D. Zhang,“Colossal negative thermal expansion induced by magnetic phase competition on frustrated lattices in laves phase compound (Hf,Ta) Fe 2”, Phys. Rev. B 224405 (2016). pdf
218.	Dingwang Yuan, Zhumin Han, Gregory Czap, Chi-lun Chiang, Chen Xu, W. Ho and Ruqian Wu,“Quantitative Understanding of van der Waals Bonds by Analyzing the Adsorption Structure and Low-Frequency Vibrational Modes of Single Benzene Molecules on Silver”, J. Phys. Chem. Lett.7, 2228-2233, (2016). pdf
217.	J. Li, H. Wang, J. Hu and R.Q. Wu, “Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet”, J. Chem. Phys.,144, 204704 (2016). pdf
216.	Marcio Costa, Hui Wang, Jun Hua, Ruqian Wu, Suok-Min Na, Hyunsuk Chun, Alison B. Flatau,“Orientation dependences of surface morphologies and energies of iron–gallium alloys”, Surface Science, 647, 26 (2016).pdf
215.	J. Lan, W.C. Yu, R.Q. Wu and J. Xiao, “A Spin wave diode”, Phys. Rev. X, 5, 041049 (2015).pdf
214.	Y.N. Zhang, M. Law, and R.Q. Wu, “Atomistic modeling of sulfur vacancy diffusion near iron pyrite surfaces”, J. Phys. Chem. C, 44, 24859 (2015).pdf
213.	H. Wang, S.W. Li, H. Y. He, A. Yu, F. Toledo, Z.M. Han, W. Ho and R.Q. Wu, “Trapping and characterization of a single hydrogen molecule in a continuously tunable nanocavity”, J. Phys. Chem. Lett, , 6, 3453 (2015). pdf
212.	A. Kabir, J. Hu, V. Turkowski, R.Q. Wu and T.S. Rahman, “ Eeffect of structure on the magnetic anisotropy of L10 FePt nanoparticles ”, Phys. Rev. B, 92, 054424 (2015). pdf
211.	H. Wang, C.T. Shi, J. Hu, C. Yu and R.Q. Wu, “Candidate source of flux noise in SQUIDs: adsorbed oxygen molecules”, Phys. Rev. Lett. 115, 077002 (2015). pdf
210.	H.H. Fu, D.D. Wu, Z.Q. Zhang, L. Gu, M.H. Wu and R.Q. Wu, “Design for a spin-seebeck diode based on two-dimensional materials”, Phys. Rev. B, 92, 045418 (2015). pdf
209.	K. Zhang, K. Du H. Liu, X.G. Zhang, F. Lan, H.X. Lin, W.G. Wei, Y.Y. Zhu, Y.F. Kou, J. Shao, J.B. Niu, W.B. Wang, R.Q. Wu, L.F. Yin, E. W. Plummer, J. Shen, "Manipulating electronic phase separation in strongly correlated oxides with an ordered array of antidots", PNAS, 1512326112 (2015). pdf
208.	J. Li, J. Hu, H. Wang and R.Q. Wu, “Rhenium-phthalocyanine molecular nanojunction with high magnetic anisotropy and high spin filtering efficiency”, Appl. Phys. Lett. 107, 032404 (2015). pdf
207.	S.W. Li, D.W. Yuan, A. Yu, G. Czap, R.Q. Wu and W. Ho, “Rotational spectromicroscopy: Imaging the orbital interaction between molecular hydrogen and an adsorbed molecule”, Phys. Rev. Lett. 114, 206101 (2015). pdf
206.	W.G. Wei, H. Wang. K. Zhang, H. Liu, Y.F. Kou, J.J. Chen, K. Du, Y.Y. Zhu, D.L. Hou, R.Q. Wu, L.F. Yin and J. Shen, “Large tunability of physical properties of manganite thin films by epitaxial starin”, Chin. Phys. Lett. 32, 087504 (2015). pdf
205.	M. Le, Y. Liu, H. Wang, R.K. Dutta, W.B. Yan, J.C. Hemminger, R.Q. Wu, and R. M. Penner, “In-situ electrical conductivity of LixMnO2 nanowires as a function of x and size”, Chemistry of Materials, 27, 3494 (2015). pdf
204.	J. Karel, J. Juraszek, J. Minar, C. Bordel, K.H. Stone, Y.N. Zhang, J. Hu, R.Q. Wu, H. Ebert, J.B. Kortright and F. Hellman, “Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry FexSi1−x thin films”, Phys. Rev. B 91, 144402 (2015).pdf
203.	L. Peng, K.L. Yao, R.Q. Wu, S.L. Wang, S.C. Zhu, Y. Ni, F.X. Zu, Z.L. Liu, B. Guo and Y. Tian., “Giant magnetoresistance in zigzag MoS2 nanoribbons”, Phys. Chem. Chem. Phys. 17, 10074 (2015). pdf
202.	J. Hu, Z.Y. Zhu, and R.Q. Wu, "Chern Half Metals: A New Class of Topological Materials to Realize the Quantum Anomalous Hall Effect" , Nano. Lett. 15, 2074 (2015). pdf
201.	S. S. Sasaki, Y. N. Zhang, S. Dey, N. Tallarida, P. Z. El-Khoury, V. A. Apkarian, R. Q. Wu, “Intrinsically conductive organo-silver linear chain polymers [–S–Ag–S–biphenyl–] n assembled on roughened elemental silver”, J. Phys. Chem. C, 118, 29287 (2014). pdf
200.	X. Zhou, L. Ma, Z. Shi, G. Y. Guo, J. Hu, R. Q. Wu, and S. M. Zhou, “Tuning magnetotransport in PdPt/Y3Fe5O12: Effects of magnetic proximity and spin-orbit coupling”, Appl. Phys. Lett. 105, 012408 (2014). pdf
199.	L. Ma, J. Hu, M. Costa, Z. Shi, J. Li, X. G. Xu, Y. Jiang, G. Y. Guo, R. Q. Wu, and S. M. Zhou, “Magneto-optical Kerr effect in L10 FePdPt ternary alloys: Experiments and first-principles calculations”, J. Appl. Phys. 115, 183903 (2014). pdf
198.	Z.M. Fu, M.Y. Wang, P.J. Zuo, Z.X. Yang, and R.Q. Wu, “Importance of oxygen spillover pathway for fuel oxidation on Ni/YSZ anodes in solid oxide fuel cells”, Phys. Chem. Chem. Phys., 16, 8536 (2014). pdf
197.	J. Hu and R.Q. Wu, “Giant magnetic anisotropy of transition-metal dimers on defected graphene”, Nano. Lett, 14, 1853 (2014). pdf
196.	P. V. Ong, N. Kioussis, P. K. Amiri, J. G Alzate, K. L. Wang, G.P. Carman, J. Hu and R.Q. Wu, “Electric field control and effect of Pd capping on magnetocrystalline anisotropy in FePd thin films: A first-principles study”, Phy. Rev. B 89, 094422 (2014). pdf
195.	J. Karel, Y.N. Zhang, C. Bordel, K.H. Stone, T.Y. Chen, C.A. Jenkins, D. J. Smith, J. Hu, R. Q. Wu, S.M. Heald, J.B. Kortright and F. Hellman, “Using structural disorder to enhance the magnetism and spin-polarization in Fe x Si1 − x thin films for spintronics”,Matter. Res. Exp. 1, 026102 (2014). pdf
194.	H. Wang, Y. N. Zhang, R. Q. Wu, D. S. Xu, L. Z. Sun, and Z. D. Zhang, “Understanding strong magnetostriction in Fe100−xGax alloys”, Scientific Reports, 3, 3521 (2013). pdf
193.	L. Lang, C.D. Dong, G.H. Chen, J.H. Yang，X. Gu， H.J. Xiang, R.Q. Wu, and X.G. Gong, “Self-stopping effect of Lithium penetration into silicon nanowires”, NanoScale, 5, 12394 (2013). pdf
192.	S.W. Li, A. Yu, F. Toledo, Z.M. Han, H. Wang, H.Y. He, R.Q. Wu, and W. Ho, “Rotational and vibrational excitations of a hydrogen molecule trapped within a nanocavity of tunable dimension”, Phys. Rev. Lett., 111, 146102 (2013). pdf
191.	X. He, Z. Y. Wang, Y. N. Zhang, J. Shi, R. Q. Wu and J. A. Yarmoff, “Surface termination of cleaved Bi2Se3 investigated by low energy ion scattering”, Phys. Rev. Lett., 110, 156101 (2013). pdf
190.	S. Seefeld,.M. Limpinsel,.Y. Liu,. N. Farhi,.Y.N. Zhang,. N. Berry, Y. J. Kwon, C.L. Perkins, S.K. Choi, J.C. Hemminger, R.Q. Wu, M. Law, “Iron pyrite thin films synthesized from an Fe(acac)3 ink”, J. Am. Chem. Soc. 135, 4412 (2013). pdf
189.	H. Wang, Z.D. Zhang, R.Q. Wu and L.Z. Sun, “Large-scale first-principles determination of anisotropic mechanical properties of magnetostrictive Fe-Ga alloys”, Acta Metal. 61, 2919–2925 (2013). pdf
188.	J. Hu, and R.Q. Wu, “Control of the magnetism and magnetic anisotropy of a single-molecule magnet with an electric field”, Phys. Rev. Lett., 110, 097202 (2013). pdf
187.	D. Qu, S. Y. Huang, J. Hu, R.Q. Wu, and C. L. Chien, “Intrinsic spin seebeck effect in Au/YIG”, Phys. Rev. Lett., 110, 067206 (2013). pdf
186.	Y.N. Zhang, H. Wang and R.Q. Wu, “First principles determination of the rhombohedral magnetostriction of Fe100-xAlx and Fe100-xGax alloys”, Phys. Rev. B 86, 224410 (2012). pdf
185.	J. Hu, J. Alicea, R.Q. Wu, and M. Franz, “Giant topological insulator gap in graphene with 5d adatoms”, Phys. Rev. Lett., 109, 266801 (2012). pdf
184.	S.G. Choi, J. Hu, L.S. Abdallah, M. Limpinsel, Y.N. Zhang, S. Zollner, R.Q. Wu, and M. Law, “Pseudodielectric function and critical point energies of iron pyrite”, Phys. Rev. B, 86, 115207 (2012). pdf
183.	Z.X. Yang, Y.X. Zhang, Z.M. Fu, and R.Q. Wu, “Unusual stability and activity of DI-Pd19 clusters for O2 dissociation”, J. Phys. Chem. C, 116, 19586 (2012). pdf
182.	J. Hu, Y.N. Zhang, M. Law, and R.Q. Wu, “Increasing the band gap of iron pyrite by alloying with oxygen”, J. Am. Chem. Soc., 134, 13216 (2012). pdf
181.	Z.X. Yang, Y.X. Zhang and R.Q. Wu, “High stability and reactivity of Pt-based core-shell nanoparticles for oxygen reduction reaction”, J. Phys. Chem. C, 116, 13774 (2012). pdf
180.	C. Antoniak, H. C. Herper, Y. N. Zhang, A. Warland, T. Kachel, F. Stromberg, B. Krumme, C. Weis, K. Fauth, W. Keune, P. Entel, R.Q. Wu, J. Lindner, and H. Wende, “Induced magnetism on silicon in Fe3Si quasi-heusler compound”, Phys. Rev. B, 85, 214432 (2012). pdf
179.	D.Y. Kim, J.H Yang, J.S Hong, C.Y. Hwang, and R.Q Wu, “Carrier-induced spin switching in Co/Graphene/Ni: A first principles study”, J. Korea Phys. Soc. 60, 420 (2012). pdf
178.	Y. N. Zhang, J. Hu, M. Law, and R. Q. Wu, “Effect of surface stoichiometry on the band gap of the pyrite FeS2(100) surface”, Phys. Rev. B 85, 085314 (2012). pdf
177.	W.D. Xing, J. Hu, S.C. Kung, K. Donavan, W.B. Yan, R.Q. Wu, and R. Penner, "A chemically-responsive nanojunction within a silver nanowire", Nano Letters, 12, 1729 (2012). pdf
176.	J. Hu, Y. N. Zhang, M. Law, and R. Q. Wu, “First-principles study of the electronic properties of native and substitutional anionic defects in bulk iron pyrite (FeS2)”, Phys. Rev. B, 85, 085203 (2012). pdf
175.	S.Y Qin, T.H. Kim, W.J. Ouyang, Y.N. Zhang, H.H. Weitering, C.K. Shih, A.P. Baddorf, R.Q. Wu, and A.P. Li, “Correlating electronic transport to atomic structures in self-assembled quantum wires”, Nano Letters, 12, 938 (2012). pdf
174.	D.D. Li, L. Zhao, R.Q. Wu, C. Ronning, and J.G. Lu, “Temperature dependent photoconductance of heavily doped ZnO nanowires”, Nano Research. 4, 1110 (2011). pdf
173.	X.F. Yang, Jun Hu, Jie Fu, R.Q. Wu, and Bruce E. Koel, “Role of surface iron in enhanced activity for the oxygen reduction reaction on a Pd3Fe(111) single-crystal alloy”, Angew. Chem. Int. Ed. 50, 10182 (2011). pdf
172.	C. Weeks, J. Hu, J. Alicea, M. Franz and R.Q. Wu, “Engineering a robust quantum spin Hall state in graphene via adatom deposition”, Phys. Rev. X, 1, 021001 (2011). pdf
171.	Y. N. Zhang, and R. Q. Wu, “Mechanism of large magnetostriction of Galfenol”, IEEE Tran Magn, 47, 4044 (2011). pdf
170.	Y. Jiang, Y. N. Zhang, J.X. Cao, R. Q. Wu and W. Ho, “Real-space imaging of Kondo screening in a two-dimensional Kondo lattice”, Science 333, 324 (2011). pdf
169.	Y. N. Zhang, F. Hanke, V. Bortolani, M. Persson, and R. Q. Wu, “Why sliding friction of Ne and Kr monolayers is so different on the Pb(111) surface”, Phys. Rev. Lett., 106, 236103 (2011). pdf
168.	Z. Y. Li, Z. Q. Yang, S. Qiao, J. Hu and R. Q. Wu, “Spin–orbit splitting in graphene on metallic substrates”, J. Phys.: Condens. Matter 23, 225502 (2011). pdf
167.	G. Petculescu, K. L. Ledet, M. Huang, T. A. Lograsso, Y. N. Zhang, R. Q. Wu, M. Wun-Fogle, J. B. Restorff, A. E. Clark, and K. B. Hathaway, “Magnetostriction, elasticity, and D03 phase stability in Fe-Ga-Ge alloys”, J. Appl. Phys. 109, 07A904 (2011). pdf
166.	J.S. Lee, J. T. Sadowski, H. Jang, J.H. Park, J. Hu, R.Q. Wu, J.Y. Kim and C.C. Kao, “Interfacial nanostructure induced spin-reorientation transition in Ni/Fe/Ni/W(110)”, Phys. Rev. B 83, 144420 (2011). pdf
165.	W.J. Ouyang, A. Shinde, Y.N. Zhang, J.X. Cao, R. Ragan and R.Q. Wu, “Structural and chemical properties of gold rare earth disilicide core shell nanowires”, ACS Nano, 5, 477 (2011). pdf
164.	Z.X. Yang, Z.M. Fu, Y.N. Zhang and Ruqian Wu, “Direct CO oxidation by lattice oxygen on Zr-doped ceria surfaces”, Cata. Lett. 141,78 (2011). pdf
163.	H. Wang, Y.N. Zhang, Teng Yang, Zhidong Zhang, Lizhi Sun and Ruqian Wu, “Ab initio studies of the effect of nanoclusters on magnetostriction of Fe1-xGax alloys”, Appl. Phys. Lett. 97, 262505 (2010). pdf
162.	Y. N. Zhang, and R. Q. Wu, “Large magnetostriction in Fe-based alloys predicted by density functional theory”, Phys. Rev. B 82, 224415 (2010). pdf
161.	D.D. Li, Jun Hu, R.Q. Wu and J.G. Lu, “Conductometric chemical sensor based on individual CuO nanowires”, Nanotechnology, 21, 485502 (2010). pdf
160.	L Zeng, J.X. Cao, E. Helgren, J. Karel, E. Arenholz, L. Ouyang, D.J. Smith, R.Q. Wu,F. Hellman, “Distinct local electronic structure and magnetism for Mn in amorphous Si and Ge”, Phys. Rev. B, 82, 165202 (2010). pdf
159.	J. Hu, D.D. Li, J.G. Lu and R.Q. Wu, “Effects on electronic properties of molecule adsorption on CuO surface and nanowire”, J. Phys. Chem. C, 114, 17120 (2010). pdf
158.	Z.M. Fu, Z.X. Yang, and R.Q. Wu, "The catalysis mechanism of noble metals at electronic level ", Journal of Nanoscience and Nanotechnology, 10, 7816-7819 (2010). pdf
157.	X.F. Yang, J. Hu, R.Q. Wu, and B.E. Koel, “Formation of Pd monomers and dimers on a single-crystal Pd3Fe(111) surface”, J. Phys. Chem. Lett., 1, 2493 (2010). pdf
156.	A. Shinde, R.Q. Wu and R. Ragan, “Thermodynamic driving forces governing assembly of disilicide nanowires”, Surf. Sci. 604, 1481 (2010). pdf
155.	Y.N.zhang J. X. Cao,I.Barsukov, J. Lindner, B.Krumme,H.Wende,and R. Q. Wu, “Magnetocrystalline anisotropy of Fe-Si alloys on MgO(001)”, Phys. Rev. B 81, 144418 (2010). pdf
154.	Y.N. Zhang, R.Q. Wu, H. M. Schurter, A. B. Flatau, “Understanding of large auxetic properties of iron-gallium and iron-aluminum alloys”, J. Appl. Phys. 108, 023513 (2010). pdf
153.	J.G. Zhou, Q.L. Williams, and R.Q. Wu, “Thioglycolic acid on the gold (111) surface and Raman vibrational spectra”, J. Chem. Phys. 132, 064702 (2010). pdf
152.	Y. N. Zhang, J. X. Cao and R. Q. Wu, “Rigid band model for prediction of magnetostriction of iron-gallium alloys”, Appl. Phys. Lett. 96, 062508 (2010). pdf
151.	R. D. Gann, J.X. Cao, J.S. Wen, Z.J. Xu, G. D. Gu, R. Q. Wu, and J. A. Yarmoff, “Adsorption of Iodine and Potassium on Bi2Sr2CaCu2O8+δ investigated by low-energy alkali-ion scattering”, Phys. Rev. B 81, 035418 (2010). pdf
150.	Y. Zhu, W. X. Ying, Z. Q. Yang, J. X. Cao, and R. Q. Wu, “Phase transition and electronic structure of Zn1-xMnxSe (x=0, 0.25) under high pressure”, Eur. Phys. J. B 72, 367 (2009). pdf
149.	A. Shinde, J.X. Cao, W.J. Ouyang, R.Q. Wu and R. Ragan, “Determination of preferential rare earth adatom adsorption geometries on Si(001)”, Phys. Lett. A, 373, 3459 (2009). pdf
148.	G. Petculescu, J. B. LeBlanc, M. Wun-Fogle, J. B. Restorff, W. C. Burton, J. X. Cao, R. Q. Wu, W. M. Yuhasz, T. A. Lograsso and A. E. Clark, “Magnetoelasticity of Fe100-xGex single crystals from 81 K to 300 K”, IEEE Tran. Magn, 45, 4149 (2009). pdf
147.	J. X. Cao, Y. N. Zhang, W. J. Ouyang and R. Q. Wu, “Large magnetostriction of Fe1-xGex and its electronic origin: Density functional study”, Phys. Rev. B 80, 104414 (2009). pdf
146.	J. X. Cao, Y. Zhu, Z. Q. Yang, and R. Q. Wu, “Origin of the magnetism in CaB6: A first-principles study”, Phys. Rev. B 79, 132404 (2009). pdf
145.	S.C. Hong, W.S. Yun, and R.Q. Wu, “Giant magnetostriction of Fe1-xBex alloy: A first-principles study”, Phys. Rev. B 79, 054419 (2009). pdf
144.	J.H. Wang, Y.S. Shi, J.X. Cao, and R.Q. Wu, “Magnetization and magnetic anisotropy of metallophthalocyanine molecules from the first principles calculations”, Appl. Phys. Lett. 95, 122502 (2009). pdf
143.	Y. Zhu, J. X. Cao, Z. Q. Yang, and R. Q. Wu, “Origin of the codopant-induced enhancement of ferromagnetism in (Zn,Mn)O: Density functional calculations”, Phys. Rev. B 79, 085206 (2009). pdf
142.	A. Shinde, J.X. Cao, R.Q. Wu, and R. Ragan, “Understanding of self-assembled disilicide nanowire precursor structures via scanning probe microscopy and first principles studies”, Israel Journal of Chemistry 48, 73 (2008). pdf
141.	A.A. Shinde, J.X. Cao, R. Ragan, and R.Q. Wu, “An atomistic view of structural and electronic properties of rare earth disilicide nanostructures on Si(001) substrates”, Chem. Phys. Lett., 466, 159 (2008). pdf
140.	A.T. Costa, R. B. Muniz, J. X. Cao, R. Q. Wu, and D. L. Mills, “Magnetism of an Fe monolayer on W(110)”, Phys. Rev. B 78, 054439 (2008). pdf
139.	D.W. Yuan, X.G. Gong, and R.Q. Wu, "Peculiar distribution of Pd on Au nanoclusters: First-principles studies", Phys. Rev. B 78, 035441 (2008). pdf
138.	C.S. Jo, A.A. Shinde, J.X. Cao, R. Ragan, and R.Q. Wu, “First principles studies of adsorption of Pd, Ag, Pt, and Au on YSi2 nanowires”, Chem. Phys. Lett., 454, 327 (2008). pdf
137.	D.W. Yuan, X.G. Gong, and R.Q. Wu, "Methanol dehydrogenation on PtAu(111) bimetallic surfaces", J. Chem. Phys. 128, 064706 (2008). pdf
136.	D.W. Yuan, X.G. Gong, and R.Q. Wu, "Origin of high activity and selectivity of PdAu(001) bimetallic surfaces toward vinyl acetate synthesis", J. Phys. Chem. C112, 1539-1543 (2008). pdf
135.	D.X. Wu, Q.M. Zhang, J.P. Liu, D.W. Yuan and R.Q. Wu, “First-principles prediction of enhanced magnetic anisotropy in FeCo alloys”, Appl. Phys. Lett. 92,052503 (2008). pdf
134.	J.H. Wang, C.S. Jo, R.Q. Wu, “Magnetic properties of Fe-5d (Os, Ir, and Pt) nanowires encapsulated in carbon nanotubes”, Appl. Phys. Lett. 92, 032507 (2008). pdf
133.	J. M. Hill, R. J. McQueeney,R.Q. Wu, K. Dennis R. W. McCallum, M. Huang, T. A. Lograsso, “The low temperature heat capacity of Fe1-xGax, 0.0 < x < 0.194”, Phys. Rev. B 77, 014430 (2008). pdf
132.	J.X. Cao, X.G. Gong, and R.Q. Wu, “Giant piezoresistance and its origin in Si(111) nanowires: First-principles calculations”, Phys. Rev. B 75, 233302 (2007). pdf
131.	D.W. Yuan, X.G. Gong, and R.Q. Wu, "Ensemble effects on ethylene dehydrogenation on PdAu(001) surfaces investigated with first-principles calculations and nudged-elastic-band simulations" Phys. Rev. B 75, 233401 (2007). pdf
130.	D.L. Mills, J.X. Cao and R.Q. Wu, "Interaction of adsorbates with electric-field fluctuations near surfaces: Nonradiative lifetimes and energy-level shifts", Phys. Rev. B 75, 205439 (2007). pdf
129.	S.C. Hong. J.I. Lee and R.Q. Wu, “Ferromagnetism in Pd thin films induced by quantum well states”, Phys. Rev. B 75, 172402 (2007). pdf
128.	D.W. Yuan, X.G. Gong, and R.Q. Wu, “Atomic configurations of Pd atoms in PdAu(111) bimetallic surfaces investigated using the first-principles pseudopotential plane wave approach”, Phys. Rev. B 75, 085428 (2007). pdf
127.	S.C. Hong, J.I. Lee and R.Q. Wu, “Oscillatory magnetism of palladium nano-film depending on its film thickness: density functional study”, J. Magn. Magn. Mater. 310, 2262 (2007). pdf
126.	J.X. Cao, X.G. Gong, J.X. Zhong, and R.Q. Wu, “Sharp corners in the cross section of ultrathin Si nanowires”, Phys. Rev. Lett. 97, 136105 (2006). pdf
125.	D.M Gillingham, C Müller, JAC Bland, J.S. Hong, and R.Q. Wu, “Origin of Spin-dependent quantum transport effects in Cu nanowires”, J. Phys.: Conden. Matter. 18, 9135-9142 (2006). pdf
124.	L. F. Yin, D. H. Wei, N. Lei, L. H. Zhou, C. S. Tian, G. S. Dong, X. F. Jin, L. P. Guo and Q. J. Jia, and R. Q. Wu, “Magnetocrystalline anisotropy in permalloy revisited”, Phys. Rev. Lett. 97, 067203 (2006). pdf
123.	C. Sorg, N. Ponpandian, M. Bernien, K. Baberschke, and H. Wende, R.Q. Wu, “Induced magnetism of oxygen in surfactant grown Fe, Co, and Ni monolayers”, Phys. Rev. B, 73, 064409 (2006). pdf
122.	J.S. Hong, and R.Q. Wu, "Prediction of ferromagnetic ordering and magnetic anisotropy of Mn monolayer on Nb(001) surface”, Phys. Rev. B 73, 094450 (2006). pdf
121.	J.S. Hong, and R.Q. Wu, “Oxygen-induced spin-polarized ferromagnetic state of a 1D-CuO nanowire”, J. Korean Phys. Soc. 47, L553 (2005). pdf
120.	J.X. Cao, X.G. Gong and R.Q. Wu, “Adsorption and segregation of Mn on GaAs(110) from first principle studies”, Phys. Rev. B 72, 153410 (2005). pdf
119.	R.Q. Wu, “Nature of Mn Induced spin polarization and magnetic circular dichroism of Ga1-xMnxAs”, Phys. Rev. Lett. 94, 207201 (2005). pdf
118.	J.S. Hong, D.S. Wang and R.Q. Wu, “Carrier induced magnetic ordering control in a digital (Ga,Mn)As structure”, Phys. Rev. Lett. 94, 137206 (2005). pdf
117.	D. Wu, D.J. Keavney, Ruqian Wu, E. Johnston-Halperin, D.D. Awschalom, and Jing Shi, “Concentration-independent local ferromagnetic Mn configuration in Ga1−xMnxAs”, Phys. Rev. B 71, 153310 (2005). pdf
116.	J.S. Hong and R.Q Wu, “Magnetic ordering and X-ray magnetic circular dichroism of Co-doped ZnO”, J. Appl. Phys. 97, 063911 (2005). pdf
115.	J.S. Hong and R.Q. Wu, “Magnetic properties of Co nanochains”, Phys. Rev. B, 70, 060406R (2004). pdf
114.	A.T. Costa Jr., R.B. Muniz, Jisang Hong, R.Q. Wu, “Localization length of ultrathin disordered gold and silver nanowires”, Euro. Phys. Lett. 67, 254-260 (2004). pdf
113.	J.S. Hong, R.Q. Wu, J. Lindner, E. Kosubek, R. Nünthel, and K. Baberschke, “Manipulation of spin reorientation transition by oxygen surfactant growth: A combined theoretical and experimental approach”, Phys. Rev. Lett. 92, 147202 (2004). pdf
112.	J.S. Hong and R.Q. Wu, “Hot electron spin polarization and schottky barrier in spin-valve transistor”, J. Appl. Phys. 95, 4240 (2004). pdf
111.	J.S. Hong, R.Q. Wu and R.B. Muniz, “Intrinsic asymmetries in spin-valves: a tight binding model study”, J. Magn. Magn. Mater. 270, 298 (2004). pdf
110.	J.S. Hong and R.Q. Wu, “Magnetic ordering and distribution of Co in GaN”, Phys. Rev B 68, 23306 (2003). pdf
109.	J.S. Hong, and R.Q. Wu “First principles determinations of Magnetic Anisotropy Energy of Co Nanoclusters”, J. Appl. Phys. 93, 8764 (2003). pdf
108.	J.S.Hong, and R.Q. Wu, “Bias and temperature dependence of hot electron transport in a spin-valve structure”, J. Appl. Phys. 93, 7525 (2003). pdf
107.	V.I. Gavrilenko and R.Q. Wu, “Effect of magnetic ordering on optical and magneto-optical properties of Fe/Cr superlattices”, J. Magn. Magn. Mater. 260, 330 (2003). pdf
106.	Z.X. Yang and R.Q. Wu, “Origin of positive core-level shifts in Au clusters on oxides”, Phys. Rev. B 67, 081403(R) (2003). pdf
105.	Z.X. Yang, G. Liu and R.Q. Wu, “Distribution and magnetization of Co impurities in anatase TiO2”, Phys. Rev. B 67, 060402(R) (2003). pdf
104.	R.Q. Wu, Z.X. Yang and J.S. Hong, “First principles determination of magnetic properties”, J. Phys. C 15, S587 (2003). pdf
103.	J.S. Hong, and R.Q. Wu, “First principles calculations of magnetic anisotropy energy of free and supported Co monatomic chains”, Phys. Rev. B 67, 020406(R) (2003). pdf
102.	C. Verdozzi, P.A. Schultz, R.Q. Wu, A.H. Edwards, and N. Kioussis, “Layer intermixing during metal/metal oxide adsorption: Ti/sapphire(0001)”, Phys. Rev. B 66, 125408 (2002). pdf
101.	J.S. Hong, R.Q. Wu, and D.L. Mills, “Many body effects on the tunneling magneto-resistance of spin valves”, Phys. Rev. B 66, 100406(R) (2002). pdf
100.	Z.X. Yang, Liu G., R.Q. Wu, “Effects of Li impurities on MgO(001) ”, Phys. Rev. B 65, 235432 (2002). pdf
99.	M. Fähnle, M. Komelj, R.Q. Wu and G.Y. Guo, “Magnetoelasticity of Fe:Possible failure of ab initio electron theory with the local spin density approximation and with the Generalized-Gradient-Approximation”, Phys. Rev. B 65, 144436 (2002). pdf
98.	J.P. Pierce, J. Shen and R.Q. Wu, “Spin Re-orientation of ultra-thin Fe/Cu(001) films driven by redistribution of Co adatoms”, Phys. Rev. B 65, 132408 (2002). pdf
97.	Z.X. Yang, R.Q. Wu and J.A. Rodriguez, “A first-principles study of the adsorption of sulfur on Pt(111): S core-level shifts and the nature of the Pt-S bond”, Phys. Rev. B 65, 155409 (2002). pdf
96.	R.Q. Wu, “Origin of large magnetostriction in FeGa alloys”, J. Appl. Phys. 91, 7358 (2002). pdf
95.	Z.X. Yang and R.Q. Wu, Q.M. Zhang, and D. W. Goodman,“The adsorption of Au on O-deficient MgO(001) surface”, Phys. Rev. B 65, 155407 (2002). pdf
94.	M. I. Trioni, Q. Sun, G.P. Brivio, Z.X. Yang and R.Q. Wu, “Surface effective-medium approach to the magnetic properties of 3d adatoms on metals”, Phys. Rev. B 65, 104408 (2002). pdf
93.	V.I. Gavrilenko, and R.Q. Wu, “Second harmonic generation of GaN(0001)”, Phys. Rev. B 65, 035405 (2002). pdf
92.	S.Y. Chop, Y.S. Kwon, S.C. Hong, J.I. Lee, and R.Q. Wu, “Surface segregation and magnetism of an alloy surface: PtNi(001)”, J Magn Magn Mater. 226, 1662 (2001). pdf
91.	Z.X. Yang and R.Q. Wu, “Intermixing at Nin/Cu(001) interface and its effects on magnetic properties of Ni”. Surface Science 496, L23 (2002). pdf
90.	V.I. Gavrilenko, and R.Q. Wu, “Magnetostriction and magnetism of rare earth intermetallic compounds: First principles study”, J. Appl. Phys. 89, 7320 (2001). pdf
89.	V.I. Gavrilenko, R.Q. Wu, M.C. Downer, J.G. Ekerdt, D. Lim., L. Mantese and P. Parkinson, “Optical second harmonic spectra of Si(001) with H and Ge ad-atoms: First principles theory and experiment”, Phys. Rev. B 63, 165325 (2001). pdf
88.	Z.X. Yang and R.Q. Wu, “First-principles study of electronic structure and magnetic properties of 3d-single and multilayers on Cu(001) substrate: Ni1-Ni4/Cu(001), Cu2/Ni4/Cu(001) and Co/Cu2/Ni4/Cu(001)”, Phys. Rev. B 63, 064413 (2001). pdf
87.	W.T. Geng, A.J. Freeman, and R.Q. Wu, “Magnetism at high-index transition-metal surfaces and the effect of metalloid impurities: Ni(210)”, Phys. Rev. B 63, 064427 (2001). pdf
86.	Z.X. Yang, R.Q. Wu, D.W. Goodman, and Q.M. Zhang “First-principles study of the adsorption of CO on TiO2(110)”, Phys. Rev. B 63, 045419 (2001). pdf
85.	Z.X. Yang, and R.Q. Wu, “First-principles studies on bonding mechanism at Ni/X bimetallic interfaces (X=Ta, W, Re and Ru)”, Surface Science 469, 36 (2000). pdf
84.	L.P. Zhong, R.Q. Wu, A.J. Freeman, and G.B. Olson, “Charge transfer mechanism of hydrogen-induced intergranular embrittlement of iron”, Phys. Rev. B 62, 13938 (2000). pdf
83.	R.W. Smith, W.T. Geng, C.B. Geller, R.Q. Wu A.J. Freeman, “The effect of Li, He, and Ca on grain boundary cohesive strength in Ni”, Scripta Mater. 43, 957 (2000). pdf
82.	V.I. Gavrilenko, and R.Q. Wu, “Energy loss spectra of group III nitrides: First principles determination”, Appl. Phys. Lett. 77, 3042 (2000). pdf
81.	W.T. Geng, A.J. Freeman, R.Q. Wu, and G.B. Olson, “Effect of Mo and Pd on the grain boundary cohesion of Fe ”, Phys. Rev. B 62, 6208 (2000). pdf
80.	R.Q. Wu, and W.H. Weber, “The mechanism of the rutile-to-CaCl2 phase transition: RuO2 and β-PtO2”, J. Phys. C 12, 6725 (2000). pdf
79.	V.I. Gavrilenko, R.Q. Wu, M.C. Downer, “Optical second harmonic spectra of silicon-adatom surface: Theorey and experiment”, Thin Solid Film 364, 1 (2000). pdf
78.	Z.X. Yang, R.Q. Wu, and D.W. Goodman, “Structural and electronic properties of Au on TiO2(110)”, Phys. Rev. B 61, 14066 (2000). pdf
77.	N. Kioussis, G. Lu, R. Wu and M. Ciftan, “Effect of hydrogen on grain boundary embrittlement: an ab initio study”, Condensed Matter Theories, 15, 313 (2000).
76.	V.I. Gavrilenko, and R.Q. Wu, “Magnetic anisotropy of Co/Cu(001) caused by Cu coverage”, J. Appl. Phys. 87, 6098 (2000). pdf
75.	D. Lim, M.C. Downer, J.G. Ekerdt, N. Arzate, B.S. Mendoza, V.I. Gavrilenko, and R.Q. Wu,“Optical second harmonic spectroscopy of boron-reconstructed Si(001)”, Phys. Rev. Lett. 84, 3406 (2000). pdf
74.	Z.X. Yang, V.I. Gavrilenko, and R.Q. Wu, “First-principles study of the atomic structure and magnetic properties of ultra-thin Ni films on Cu(001) substrate”, Surf. Sci. 447, 212 (2000). pdf
73.	V.I. Gavrilenko, and R.Q. Wu, “Linear and nonlinear optical properties of cubic and hexagonal group-III nitrides", Phys. Rev. B 61, 2632 (2000). pdf
72.	R.Q. Wu and Q.M. Zhang, “Reply to Comment on “First principles determination of the bonding mechanism and adsorption energy for CO/MgO(001)”1”, Chem. Phys. Lett. 306, 205 (1999). pdf
71.	V.I. Gavrilenko and R.Q. Wu, “Effects of Cu coverage on the magnetic anisotropy of Co/Cu(001)", Phys. Rev. B 60, 9539 (1999). pdf
70.	A.J. Freeman, R.Q. Wu, M.Y. Kim, and V.I. Gavrilenko, “Magnetism, magneto-crystalline anisotropy, magnetostriction and MOKE at surfaces and interfaces”, J. Magn. Magn. Mater., 203, 1 (1999). pdf
69.	W.T. Geng, A.J. Freeman, R.Q. Wu, C.B. Geller, and J. Raynolds, “Embrittling/strengthening effects of hydrogen, boron and phosphorous on a S5 nickel grain boundary”, Phys. Rev. B 60, 7149 (1999). pdf
68.	V.I. Gavrilenko and R.Q. Wu, “Magneto-optical properties of FeAu alloys and Fe/Au superlattices”, J. Appl. Phys., 85, 5112 (1999). pdf
67.	R.Q. Wu, “Magnetism and magnetostriction in GdCo2 and GdFe2”, J. Appl. Phys., 85, 6217 (1999). pdf
66.	R.Q. Wu and A.J. Freeman, “Spin–orbit induced magnetic phenomena in bulk metals and their surfaces and interfaces”, J. Magn. Magn. Mater., 200, 498 (1999). pdf
65.	M.Y. Kim, A.J. Freeman, and R.Q. Wu, “Surface effects and structural dependence of the magneto-optical spectra for ultra-thin Co films and CoPtn alloys and multilayers”, Phys. Rev. B 59, 9432 (1999). pdf
64.	G. Lu, N. Kioussis, R.Q. Wu, and M. Ciftan, “First principles studies of the S5 Tilt grain boundary in Ni3Al”, Phys. Rev. B 59, 891 (1999). pdf
63.	L.J. Chen, R.Q. Wu, N. Kioussis, and Q.M. Zhang, “First principles determination of the bonding mechanism and adsorption energy for CO on MgO(001)”, Chem. Phys. Lett. 290, 255 (1998). pdf
62.	M.A. Tomaz, G.A. Harp, E. Mayo, D. Lederman, R.Q. Wu, W.L. O’Brien, “Structural and magnetic properties of Fe/Rh(001) sputter deposited multilayers”, J. Vac. Sci. & Technol. A,16, 1336 (1998). pdf
61.	R.Q. Wu, L.J. Chen, A. Shick, and A.J. Freeman, “First principles determinations of magneto-crystallinea anisotropy and magnetostriction in bulk and thin film transition metals”, J. Magn. Magn. Mater., 177, 1216 (1998). pdf
60.	C.S., Chang, L.H. Cho, J.I., Lee, S.C. Hong, R.Q. Wu, and A.J. Freeman, “Possible magnetism of Rh as an overlayer on Cu(001): a first principles study”, J. Magn. Magn. Mater., 177-181, 1255 (1998). pdf
59.	R.Q. Wu, L.J. Chen, and A.J. Freeman, “First principles determination of magnetostriction in bulk transition metals and thin films”, J. Magn. Magn. Mater. 170, 103 (1997). pdf
58.	L.J. Chen, R.Q. Wu, N. Kioussis, and J.R. Blanco, “First principles investigations of 4d magnetism on C(0001)”, J. Appl. Phys. 81, 4161 (1997). pdf
57.	L.P. Zhong, R.Q. Wu, and A.J. Freeman, “Effects of interfacial relaxation on the magnetic coupling on Mn/Fe(111)”, J. Appl. Phys. 81, 4479 (1997). pdf
56.	L.P. Zhong, R.Q. Wu, A.J. Freeman, and G.B. Olson, “Effects of Mn addition on the P embrittlement of the Fe grain boundary”, Phys. Rev. B 55, 11133 (1997). pdf
55.	R.Q. Wu, L.J. Chen, and A.J. Freeman, “Strain induced magneto-crystalline anisotropy in fct Ni/Cu(001)”, J. Appl. Phys. 81, 4417 (1997). pdf
54.	R.Q. Wu,L.P. Zhong, L.J. Chen, and A.J. Freeman, “First principles determination of the tensile and slip energy barrier of B2 NiAl and FeAl”, Phys. Rev. B 54, 7084 (1996). pdf
53.	R.Q. Wu, and A.J. Freeman, “First principles determinations of magnetostriction in transition metals (invited)”, J. Appl. Phys. 79, 6209 (1996). pdf
52.	R.Q. Wu, L.J. Chen, and N. Kioussis, “Effects of multilayer relaxation and surface roughness on the electronic properties of Pd/W(110) and Pd/W(001)”, Chem. Phys. Lett. 258, 228 (1996). pdf
51.	X.D. Wang, R.Q. Wu, D.S. Wang, and A.J. Freeman, “First principles determination of magneto-crystalline anisotropy for surfaces and interfaces using a torque method”, J. Appl. Phys. 79, 5827 (1996). pdf
50.	R.Q. Wu, L.J. Chen, and N. Kioussis, “Structural and magnetic properties of fcc Pt/Fe(111) multilayers”, J. Appl. Phys. 79, 4783 (1996). pdf
49.	X.D. Wang, R.Q. Wu, D.S. Wang, and A.J. Freeman, “Torque method for the theoretical determination of magnetocrystalline anisotropy”, Phys. Rev. B 54, 61 (1996). pdf
48.	X.D. Wang, R.Q. Wu, D.S. Wang, and A.J. Freeman, “Validity of the force theorem for magnetocrystalline anisotropy”, J. Magn. Magn. Mater, 159, 337 (1996). pdf
47.	R.Q. Wu, and A.J. Freeman, “Magnetic circular dichroism at k and L edges for Co/Cu(001)”, J. Appl. Phys. 79, 6500 (1996). pdf
46.	A.J. Freeman, and R.Q. Wu, “Man-made materials - an exciting area for hyperfine-interaction investigations”, Nuovo Cimento 18, 137 (1996). pdf
45.	L.J. Chen, and R.Q. Wu, “Structural and electronic properties of an ordered alloy surface: rippling and bonding in c(22)-SnNi(001)”,* Surface Science 345, L34 (1996). pdf
44.	R.Q. Wu, and A.J. Freeman, “Role of multilayer relaxation on the magnetic coupling of bilayer Mn on Fe(001)”, J. Magn. Magn. Mater. 161, 89 (1996). pdf
43.	R.Q. Wu, A.J. Freeman, and G.B. Olson, “Effects of carbon on Fe-grain-boundary cohesion: First-principles determination”, Phys. Rev. B 53, 7504 (1996). pdf
42.	A.J. Freeman, O. Mryasov, D.S. Wang, and R.Q. Wu, “Density functional theory of the electronic and magnetic properties of interfaces and multilayers”, Mater. Sci. and Eigin. B 51, 225 (1995). pdf
41.	R.Q. Wu, and A.J. Freeman, “Bonding mechanism at bimetallic interfaces: Pd overlayer on various substrates”, Phys. Rev. B 52, 12419 (1995). pdf
40.	R.Q. Wu, “The bonding mechanism at bimetallic interface: Pd/Ta(110)”, Chem. Phys. Lett. 238, 99 (1995). pdf
39.	D.S. Wang, R.Q. Wu, L.P. Zhong and A.J. Freeman, “First principle determination of spin-orbit induced phenomena at surfaces, interfaces and superlattices: Magnetocrystalline anisotropy and magnetic circular dichroism: magnetocrystalline anisotropy and magnetic circular dichroism”, J. Magn. Magn. Mater. 140, 643 (1995). pdf
38.	R.Q. Wu, and A.J. Freeman, “Metal-ceramic interface: overlayer-induced reconstruction and magnetism of 4d transition Metal Overlayers”, Phys. Rev. B 51, 5408 (1995). pdf
37.	F.Y. Rao, R.Q. Wu, and A.J. Freeman, “Structure and bonding at metal-ceramic interfaces: Ag/CdO(001)”, Phys. Rev. B 51, 10052 (1995). pdf
36.	R.Q. Wu, and A.J. Freeman, “Predicted c(2×2) buckling reconstruction of monolayer Mn on Fe(001) and its importance to the interfacial magnetic ordering”, Phys. Rev. B 51, 17131 (1995). pdf
35.	R.Q. Wu, A.J. Freeman, and G.B. Olson, “First principles determination of the effects of phosphorus and boron on iron grain boundary cohesion”, Science 265, 376 (1994). pdf
34.	R.Q. Wu, and A.J. Freeman, “Magnetism at metal-ceramic interfaces: effects of a Au overlayer on the magnetic properties of Fe/MgO(001)”, J. Magn. Magn. Mater. 137, 127 (1994). pdf
33.	R.Q. Wu, and A.J. Freeman, “Limitation of the MCD spin sum rulefor transition metals and importance of the magnetic dipole term”, Phys. Rev. Lett. 73, 1994 (1994). pdf
32.	R.Q. Wu, D.S. Wang, and A.J. Freeman, “Validity and applicability of MCD sum rules for transition metals”, J. Appl. Phys. 75, 5802 (1994). pdf
31.	D.S. Wang, R.Q. Wu, and A.J. Freeman, “Local spin-density theory of interface and surface magneto-crystalline anisotropy: Pd/Co/Pd and Cu/Co/Cu (001) sandwiches”, J. Appl. Phys. 75, 6409 (1994). pdf
30.	R.Q. Wu, A.J. Freeman, and G.B. Olson, “Nature of phosphorus embrittlement of the FeΣ3[11¯0](111) grain boundary”, Phys. Rev. B 50, 75 (1994). pdf
29.	R.Q. Wu, D.S. Wang, and A.J. Freeman, “First principles investigations of MCD spectra and sum rules for 3d transition metal surfaces”, J. Magn. Magn. Mater. 132, 103 (1994). pdf
28.	D.S. Wang, R.Q. Wu, and A.J. Freeman, “Magneto-crystalline anisotropy of interface: First principles theory for Co/Cu interface and interpretation by an effective Ligand interaction model”, J. Magn. Magn. Mater. 129, 237 (1994). pdf
27.	D.S. Wang, R.Q. Wu, and A.J. Freeman, “Magneto-crystalline anisotropy of Co/Pd interface”, Phys. Rev. B 48, 15886 (1993). pdf
26.	R.Q. Wu, D.S. Wang, and A.J. Freeman, “First principles investigation of the validity and range of applicability of the x-ray magnetic circular dichroism sum rule”, Phys. Rev. Lett. 71, 3581 (1993). pdf
25.	C. Li , R.Q. Wu, A.J. Freeman, and C.L. Fu, “Energetics, bonding mechanism and electronic structure of metal-ceramic interface: Ag/MgO(001)”, Phys. Rev. B 48, 8317 (1993). pdf
24.	D.S. Wang, R.Q. Wu, and A.J. Freeman, “Reply to a comment on the state tracking determination for MCA”, Phys. Rev. Lett. 71, 2166 (1993). pdf
23.	D.S. Wang, R.Q. Wu, and A.J. Freeman, “First Principles Theory of Monolayer Magneto-crystalline Anisotropy and the Diatomic Pair Model”, Phys. Rev. B 47, 14932 (1993). pdf
22.	R.Q. Wu, and A.J. Freeman, “An Efficient Step-forward Way to Solve the Schrodinger Eigenvalue Equation in Self-consistent Calculations”, Comput. Phys. Commun. 76, 58 (1993). pdf
21.	D.S. Wang, R.Q. Wu, and A.J. Freeman, “Theoretical studies of the magneto-crystalline anisotropy: Monolayer Co”, J. Appl. Phys. 73, 6745 (1993). pdf
20.	R.Q. Wu, and A.J. Freeman, “Variation of the spin density at EF with oxygen adsorption: Fe(110) vs O/Fe(110)”, J. Appl. Phys. 73, 6739 (1993). pdf
19.	R.Q. Wu, and A.J. Freeman, “Magnetism of Fe on W(001) and the effects of oxygen adsorption”, J. Magn. Magn. Mater. 127, 327 (1993). pdf
18.	R.Q. Wu, A.J. Freeman, and G.B. Olson, “Effects of P and B adsorption on the Fe(111) surface”, Phys. Rev. B 47, 6855 (1993). pdf
17.	R.Q. Wu, and A.J. Freeman, “Structural, electronic and magnetic properties of an open surface: Fe(111)”, Phys. Rev. B 47, 3904 (1993). pdf
16.	D.S. Wang, R.Q. Wu, and A.J. Freeman, “State tracking first principles determination of magneto-crystalline anisotropy”, Phys. Rev. Lett. 70, 869 (1993). pdf
15.	R.Q. Wu, and A.J. Freeman, “Proximity effects of a Cu(001) substrate on the ferromagnetism of Co Mono- and bilayers”, J. Magn. Magn. Mater. 116, 202 (1992). pdf
14.	A.J. Freeman, and R.Q. Wu, “Magnetism in man-made materials”, J. Magn. Magn. Mater. 104, 1 (1992). pdf
13.	R.Q. Wu, and A.J. Freeman, “The Spin-density at the fermi level for magnetic surfaces and overlayers”, Phys. Rev. Lett. 69, 2867 (1992). pdf
12.	R.Q. Wu, A.J. Freeman, and G.B. Olson, “On the electronic basis of the phosphorus intergranular embrittlement of iron”, J. Mater. Res. 7, 2403 (1992). pdf
11.	R.Q. Wu, and A.J. Freeman, “Magnetic properties of Fe overlayers on W(001) and the effects of oxygen adsorption”, Phys. Rev. B 45, 7532 (1992). pdf
10.	R.Q. Wu, and A.J. Freeman, “Possible 4d ferromagnetism of Rh and Ru overlayers on a Ag(001) substrate”, Phys. Rev. B 45, 7222 (1992). pdf
9.	R.Q. Wu, and A.J. Freeman, “Structural and magnetic properties of Fe/Ni(111)”, Phys. Rev. B 45, 7205 (1992). pdf
8.	R.Q. Wu, C. Li, A.J. Freeman and C.L. Fu, “Structural, electronic and magnetic properties of rare-earth metal surface: Gd(0001)”, Phys. Rev. B 44, 9400 (1991). pdf
7.	A.J. Freeman, and R.Q. Wu, “Magnetic Moment Enhancement at Transition Metal and Rare-earth Metal Surfaces”, Prog. Theo. Phys. 106, 397 (1991). pdf
6.	R.Q. Wu, and A.J. Freeman, “Antiferromagnetic coupling of Fe/Ru(0001)”, Phys. Rev. B 44, 4449 (1991). pdf
5.	R.Q. Wu, and A.J. Freeman, “Theoretical determination of antiferromagnetic coupling and surface state for Gd(0001)”, J. Magn. Magn. Mater. 99, 81 (1991). pdf
4.	A.J. Freeman and R.Q. Wu, “Electronic structure theory of surface, interface and thin film magnetism”, J. Magn. Magn. Mater. 100, 497 (1991). pdf
3.	R.Q. Wu, C. Li, and A.J. Freeman, “Structural, electronic and magnetic properties of Co/Pd(111) and Co/Pt(111)”, J. Magn. Magn. Mater. 99, 71 (1991). pdf
2.	R.Q. Wu, and D.S. Wang, “Effects of the surface states of different transition metal substrates on a Cs overlayer”, Phys. Rev. B 41, 12541 (1990). pdf
1.	R.Q. Wu, K.L. Chen, D.S. Wang, and N. Wang, “Interaction, electron transfer and work function of a chemisorbed Alkali-metal submonolayer on the W(001) surface”, Phys. Rev. B 38, 3180 (1988). pdf

Invited book chapters

11.	G. Petculescu, R.Q. Wu, and R. J. McQueeney, “Origin of large magnetostriction of Galfenol”, in “Handbook of Magnetic Materials”, edited by K. H. J. Buschow, (Elsevier, Amsterdam, 2012) pp 123.
10.	R.Q. Wu “Theory of Magnetocrystalline Anisotropy and Magneto-elasticity and Related Phenomena- Transition Metals”, edited by H. Kronmüller and S. Parkin, (John Wiley & Sons, 2006).
9.	R.Q. Wu, “Perspective of Fundamental Research for Nanomagnetism”, edited by J.A.C. Bland and D.L. Mills, (Elsevier, 2006).
8.	A.J. Freeman, K. Nakamura and R.Q. Wu, “Modern Electronic Structure Theory for Complex Properties of Magnetic Materials”, (Scientific Press, 2004).
7.	A.J. Freeman, R. Asahi, A. Continenza and R.Q. Wu, “Electronic Structure Theory for Ground and Excited State Properties of Materials”, edited by Schattke and M. van Hove (Wiley-VCH, Berlin 2002).
6.	R.Q. Wu, “First Principles Determination of Magnetic Anisotropy and Magnetostriction in Transition Metal Alloys”, edited by W. Nolting and K. Babersche (Springer-Verlag, Berlin 2001).
5.	R.Q. Wu, “First Principles Determination of Magnetostriction in Transition Metal Thin Films, Alloys and Compounds”, edited by M.R.J. Gibbs (Kluwer Academic Publishers, 2000) p1.
4.	N. Kioussis, G. Lu, R.Q. Wu, and M. Ciftan, “Effect of Hydrogen on Grain Boudary Embrittlement: An ab initio Study ”, edited by G.S. Anagnostatos, R.F. Bishop, K.A. Gernoth, J. Ginis, and A. Theophilou (Nova Science Publisher, Inc., 2000), p313.
3.	R.Q. Wu and A.J. Freeman, “Magnetism in Metals”, Edited by D.F. McMorrow, J. Jensen and H.M. Ronnow (Munksgaard, Copenhagen, 1997), p133.
2.	R.Q. Wu, D.S. Wang, and A.J. Freeman, “Aspects of Modern Magnetism”, Edited by F.C. Pu (World Scientific, Singapore, 1996), p90.
1.	R.Q. Wu, D.S. Wang, and A.J. Freeman, “Handbook for Surface Imaging and Visualization”, Edited by A.T. Hubbard (CEC Press, 1995), p385.