Papers published in refereed journals
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

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


H. Wang, S.W. Li, H. Y. He, A. Yu, F. Toledo, Z.M. Han, W. Ho and R.Q. Wu, “The Trapping and Characterization of a Single Hydrogen Molecule in a Continuously Tunable Nanocavity”, J. Phys. Chem. Lett, , 6, 3453 (2015). pdf


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


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


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


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


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


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


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


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


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, “The Effect of Chemical Order on the Magnetic and Electronic Properties of Epitaxial, Phys. Rev. B 91, 144402 (2015).pdf


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


J. Hu, Z.Y. Zhu, and R.Q. Wu, “Chern Half metal: The Case of Graphene With Co or Rh Adatom”, Nano. Lett. 15, 2074 (2015). pdf


S. 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


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


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


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


J. Hu and R.Q. Wu, “Giant magnetic anisotropy of transition-metal dimers on defected graphene”, Nano. Lett, 14, 1853 (2014). pdf


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


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


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


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


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


X.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


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


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


J. Hu, and R.Q. Wu, “Control magnetization and magnetic anisotropy of molecular magnet with electric field”, Phys. Rev. Lett., 110, 097202 (2013).  pdf


D. Qu, S. Y. Huang, J. Hu, R.Q. Wu, and C. L. Chien, “Intrinsic Spin Seebeck Effect in Gold”, Phys. Rev. Lett., 110, 067206 (2013).  pdf


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


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


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  


Z.X. Yang, Y.X. Zhang, Z.M. Fu, and R.Q. Wu, Unusual Stability and Activity of DI-Pd19”, J. Phys. Chem. C, 116, 19586 (2012).  pdf


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


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


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


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). 


Y. N. Zhang, J. Hu, M. Law, and R. Q. Wu, “The effect of surface stoichiometry on the band gap of the pyrite FeS2(100) surface”, Phys. Rev. B 85, 085314 (2012).   pdf


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


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


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, Metallic Conductance Stabilized by Interwire Coupling in Self-Assembled Quantum Wires”, Nano Letters, 12, 938 (2012).   pdf


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, 1013 (2011). pdf


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


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


Y. N. Zhang, and R. Q. Wu, “Mechanism of Large Magnetostriction of Galfenol”, IEEE Tran Magn, 47, 4044 (2011).  pdf


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


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


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


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


J.S. Lee, J. T. Sadowski, H. Jang, J.H. Park, J. Hu, R.Q. Wu, J.Y. Kim and C.C. Kao, “Magnetic Nanoparticles Trigger Spin Reorientation Transition in Ni/Fe/Ni/W(110)”, Phys. Rev. B 83, 144420 (2011).  pdf


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


Z.X. Yang, Z.M. Fu, Y.N. Zhang and Ruqian Wu, The direct CO oxidation by lattice oxygen on Zr-doped ceria surfaces”, Cata. Lett. 141,78 (2011).  pdf


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


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


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


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


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


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).


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


A. Shinde, R.Q. Wu and R. Ragan, “Thermodynamic Driving Forces Governing Assembly of Disilicide Nanowires”, Surf. Sci. 604, 1481 (2010).  pdf


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


Y.N. Zhang, H. M. Schurter, R.Q. Wu, A. B. Flatau, Understanding of large auxetic properties of iron-gallium and iron-aluminum alloys, J. Appl. Phys. 108, 023513 (2010).   pdf


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


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


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”, Phys. Rev. B 81, 035418 (2010).   pdf


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).


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).


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-Gex Single Crystals From 81 K to 300 K”, IEEE Tran. Magn, 45, 4149 (2009).


J. X. Cao, Y. N. Zhang, W. J. Ouyang and R. Q. Wu, “Large magnetostriction of Fe1-xGex and its electronic origin”, Phys. Rev. B 80, 104414 (2009).


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).


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).


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).


Y. Zhu, J. X. Cao, Z. Q. Yang, and R. Q. Wu, “Origin of the co-dopant induced enhancement of ferromagnetism in (Zn,Mn)O”, Phys. Rev. B 79, 085206 (2009).


A. Shinde, J.X. Cao, R.Q. Wu, and R. Ragan, “Understanding of Self-Assembled Disilicide Nanowire Precursor Structures viaScanning Probe Microscopy and First Principles Studies”, Israel Journal of Chemistry 48, 73 (2008).


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).


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).


D.W. Yuan, X.G. Gong, and R.Q. Wu, "The peculiar distribution pattern of Pd on PdAu bimetallic nanoclusters", Phys. Rev. B 78, 035441 (2008).


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).


D.W. Yuan, X.G. Gong, and R.Q. Wu, "Methanol dehydrogenation on PtAu(111) bimetallic surfaces", J. Chem. Phys. 128, 064706 (2008).


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).


D.X. Wu, Q.M. Zhang, J.P. Liu, D.W. Yuan and R.Q. Wu, “On the Thermostability and Magnetism of FeCo Alloys: A First-Principles Study”, Appl. Phys. Lett. 92,052503  (2008).


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).


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).


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).


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).


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).


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).


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).


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).


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).


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).


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).


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).


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).


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).


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).


R.Q. Wu Nature of Mn Induced Spin Polarization and Magnetic Circular Dichroism of Ga1-xMnxAs”, Phys. Rev. Lett. 94, 207201 (2005).


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).


D. Wu, D.J. Keavney, Ruqian Wu, E. Johnston-Halperin, D.D. Awschalom, and Jing Shi, “Nearly concentration-independent local Mn configuration in ferromagnetic Ga1-xMnxAs”, Phys. Rev. B 71, 153310 (2005).


J.S. Hong and R.Q Wu, “The Mechanism of Magnetic Ordering and X-ray Magnetic Circular Dichroism of Co-doped ZnO”, J. Appl. Phys. 97, 063911 (2005).


J.S. Hong and R.Q. Wu, “Peculiar Magnetic Properties of Co Nanochains”, Phys. Rev. B, 70, 060406R (2004).


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).


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).


J.S. Hong and R.Q. Wu, “Hot Electron Spin Polarization and Schottky Barrier in Spin-Valve Transistor”, J. Appl. Phys. 95, 4240 (2004).


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).


J.S. Hong and R.Q. Wu, “Magnetic Ordering and Distribution of Co in GaN”, Phys. Rev B 68, 23306 (2003).


J.S. Hong, and R.Q. Wu “First Principles Determinations of Magnetic Anisotropy Energy of Co Nanoclusters”, J. Appl. Phys. 93, 8764 (2003).


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).


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).


Z.X. Yang and R.Q. Wu, “Origin of the Positive Core Level Shifts in Observed Sparse Au Clusters on Oxides”, Phys. Rev. B 67, 081403(R) (2003).


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).


R.Q. Wu, Z.X. Yang and J.S. Hong, “First Principles Determination of Magnetic Properties”, J. Phys. C 15, S587 (2003).


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).


C. Verdozzi, P.A. Schultz, R.Q. Wu, A.H. Edwards, and N. Kioussis, “Titanium Induced Instability of the Sapphire(0001) Surface”, Phys. Rev. B 66, 125408 (2002).


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).


Z.X. Yang, Liu G., R.Q. Wu, “Effects of Li Impurities on MgO(001) Surface”, Phys. Rev. B 65, 235432 (2002).


M. Fähnle, M. Komelj, R.Q. Wu and G.Y. Guo, “Magnetoelasticity of Fe: Failure of the ab initio Electron Theory with the Local Spin Density Approximation and with the Generalized-Gradient-Approximation”, Phys. Rev. B 65, 144436 (2002).


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).


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).


R.Q. Wu, “Origin of Large Magnetostriction in FeGa Alloys”, J. Appl. Phys. 91, 7358 (2002).


Z.X. Yang and R.Q. Wu, “The Adsorption of Au on O-deficient MgO(001) Surface”, Phys. Rev. B 65, 155407 (2002).


M. I. Trioni, Q. Sun, G.P. Brivio, Z.X. Yang and R.Q. Wu, “The Magnetic Properties of Adatoms on Metals: Comparison Between ab initio Calculations on Jellium and a Real Substrate”, Phys. Rev. B 65, 104408 (2002).


V.I. Gavrilenko, and R.Q. Wu, “Second Harmonic Generation of GaN(0001)”, Phys. Rev. B 65, 035405 (2002).


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).


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).


V.I. Gavrilenko, and R.Q. Wu, “Magnetostriction and Magnetism of Rare Earth Intermetallic Compounds: First Principles Study”, J. Appl. Phys. 89, 7320 (2001).


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).


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).


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).


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).


Z.X. Yang, and R.Q. Wu, “Electronic Properties of Ni/X (X=Ta, W, Re, Ru) Bimetallic Surfaces”, Surface Science 469, 36 (2000).


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).


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).


V.I. Gavrilenko, and R.Q. Wu, “Electron Energy Loss Spectra of Group-III Nitrides: First Principles Determination”, Appl. Phys. Lett. 77, 3042 (2000).


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).


R.Q. Wu, and W.H. Weber, “The Mechanism of the Pressure-induced Rutile-CaCl2 Second-order Phase Transition in RuO2”, J. Phys. C 12, 6725 (2000).


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).


Z.X. Yang, R.Q. Wu, and D.W. Goodman, “Chemical Properties of Au-adlayer on TiO2(110)”, Phys. Rev. B 61, 14066 (2000).


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).


V.I. Gavrilenko, and R.Q. Wu, “Effects of Gradient Correction for the Determination of Magneto-crystalline Anisotropy Energy: Cu/Co/Cu(001)”, J. Appl. Phys. 87, 6098 (2000).


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).


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).


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).


R.Q. Wu and Q.M. Zhang, “Effects of Gradient Corrections on the Determination of  Adsorption Energies of CO/MgO(001)”, Chem. Phys. Lett. 306, 205 (1999).


V.I. Gavrilenko and R.Q. Wu, “First Principles Determination of Uniaxial and In-plane Magneto-crystalline Anisotropy Energies of Cu/Co/Cu(001) Systems", Phys. Rev. B  60, 9539 (1999).


R.Q. Wu, A.J. Freeman, M.Y. Kim, and V.I. Gavrilenko, “Magnetism, Magneto-crystalline Anisotropy and Magnetostriction at Surfaces and Interfaces”, J. Magn. Magn. Mater., 203, 1 (1999).


W.T. Geng, A.J. Freeman, R.Q. Wu, C.G. Geller, and J. Raynolds, “The Embrittling/strengthening Effects of Hydrogen, Boron and Phosphorous on a S5 Nickel Grain Boundary”, Phys. Rev. B 60, 7149 (1999).


V.I. Gavrilenko and R.Q. Wu, “Magneto-optical properties of FeAu alloys and Fe/Au superlattices”, J. Appl. Phys., 85, 5112 (1999).


R.Q. Wu, “Magnetism and magnetostriction in GdCo2 and GdFe2”, J. Appl. Phys., 85, 6217 (1999).


R.Q. Wu and A.J. Freeman, “Effects of Spin-orbit Coupling in Thin Film Magnetism”, J. Magn. Magn. Mater., 200, 498 (1999).


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).


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).


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).


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. A16, 1336 (1998).


R.Q. Wu, L.J. Chen, A. Shick, and A.J. Freeman, “First Principles Determinations of Magneto-crystalline Anisotropy and Magnetostriction in Bulk and Thin Film Transition Metals”, J. Magn. Magn. Mater., 177, 1216 (1998).


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).


R.Q. Wu, L.J. Chen, and A.J. Freeman, “First Principles Determination for Magnetostriction in Bulk Transition Metals and Overlayers”, J. Magn. Magn. Mater. 170, 103 (1997).


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).


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).


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).


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).


R.Q. Wu, L.J. Chen, L.P. Zhong, 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).


R.Q. Wu, and A.J. Freeman, “The Mechanism of Magnetostriction in Transition Metal Thin Films”, J. Appl. Phys. 79, 6209 (1996).


R.Q. Wu, L.J. Chen, and N. Kioussis, “Effects of Interfacial Hybridization on Electronic and Chemical Properties of Bimetallic Surfaces: Pd/W(001) and Pd/W(110)”, Chem.  Phys.  Lett. 258, 228 (1996).


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).


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).


X.D. Wang, R.Q. Wu, D.S. Wang, and A.J. Freeman, “An Efficient Torque Technique for Determination of the Magneto-crystalline Anisotropy”, Phys. Rev. B 54, 61 (1996).


X.D. Wang, R.Q. Wu, D.S. Wang, and A.J. Freeman, “Force Theorem for the Determination of the Magneto-crystalline Anisotropy of Transition Metal Thin Films”, J. Magn. Magn. Mater, 159, 337 (1996).


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).


A.J. Freeman, and R.Q. Wu, “Man-made materials - an Exciting Area for Hyperfine-interaction investigations”, Nuovo Cimento 18, 137 (1996).


L.J. Chen, and R.Q. Wu, “Structural and Chemical Properties of c(2x2) Sn/Ni(001) Alloyed Surface”, Surface Science 345, L34 (1996).


R.Q. Wu, and A.J. Freeman, “Multilayer Relaxation and Magnetic Ordering in Bilayer Mn/Fe(001)”, J. Magn. Magn. Mater. 161, 89 (1996).


R.Q. Wu, A.J. Freeman, and G.B. Olson, “Effects of Carbon Impurity on Cohesion of the Fe(111) Grain Boundary Cohesion”, Phys. Rev. B 53, 7504 (1996).


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).


R.Q. Wu, and A.J. Freeman, “Effects of Metal Substrates on the Electronic Properties of Pd Thin Films”, Phys. Rev. B 52, 12419 (1995).


R.Q. Wu, “The Nature of Metal-metal bonding at Bimetallic Interface: Pd/Ta(110)”, Chem. Phys. Lett. 238, 99 (1995).


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”, J. Magn. Magn. Mater. 140, 643 (1995).


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).


F.Y. Rao, R.Q. Wu, and A.J. Freeman, “Bonding Mechanism in Ag/CdO(001)”, Phys. Rev. B 51, 10052 (1995).


R.Q. Wu, and A.J. Freeman, “Overlayer Buckling Reconstruction and its Role on the Magnetic Ordering for Mn/Fe(001)”, Phys. Rev. B 51, 17131 (1995).


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).


R.Q. Wu, and A.J. Freeman, “Effects of Au Coverage on the Giant Magnetic Moment of Fe/MgO(001)”, J. Magn. Magn. Mater. 137, 127 (1994).


R.Q. Wu, and A.J. Freeman, “Limitation of the MCD Spin Sum Rule and Importance of the Magnetic Dipole Term for Transition Metal Systems”, Phys. Rev. Lett. 73, 1994 (1994).


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).


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”, J. Appl. Phys. 75, 6409 (1994).


R.Q. Wu, A.J. Freeman, and G.B. Olson, “Nature of Phosphorus Intergranular Embrittlement for the FeS3[110](111) Grain Boundary”, Phys. Rev. B 50, 75 (1994).


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)


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).


D.S. Wang, R.Q. Wu, and A.J. Freeman, “Magneto-crystalline Anisotropy of Co/Pd Interface”, Phys. Rev. B 48, 15886 (1993).


R.Q. Wu, D.S. Wang, and A.J. Freeman, “First Principles Investigation of the Validity and the range of Applicability of the MCD Sum Rule”, Phys. Rev. Lett. 71, 3581 (1993).


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).


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).


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).


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).


D.S. Wang, R.Q. Wu, and A.J. Freeman, Theoretical Studies of the Magneto-crystalline Anisotropy of the Co Monolayer”, J. Appl. Phys. 73, 6745 (1993).


R.Q. Wu, and A.J. Freeman, “The Spin Density at the Fermi Level for Fe(110) and O/Fe(110)”, J. Appl. Phys. 73, 6739 (1993).


R.Q. Wu, and A.J. Freeman, “Effects of Oxygen Overlayer and W(001) Substrate to Fe Thin Film Magnetism”, J. Magn. Magn. Mater. 127, 327 (1993).


R.Q. Wu, A.J. Freeman, and G.B. Olson, “Effects of P and B Adsorption on Fe(111) ”, Phys. Rev. B 47, 6855 (1993).


R.Q. Wu, and A.J. Freeman, “Structural, Electronic and Magnetic Properties of an Open Surface: Fe(111)”, Phys. Rev. B 47, 3904 (1993) .


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) .


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).


A.J. Freeman, and R.Q. Wu, “Magnetism in Man-made Materials”, J. Magn. Magn. Mater. 104, 1 (1992).


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).


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)


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).


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).


R.Q. Wu, and A.J. Freeman, “Structural and Magnetic Properties of Fe/Ni(111)”, Phys. Rev. B 45, 7205 (1992).


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).


A.J. Freeman, and R.Q. Wu, “Magnetic Moment Enhancement at Transition Metal and Rare-earth Metal Surfaces”, Prog. Theo. Phys. 106, 397 (1991).


R.Q. Wu, and A.J. Freeman, “Antiferromagnetic Coupling of Fe/Ru(0001)”, Phys. Rev. B 44, 4449 (1991).


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).


A.J. Freeman and R.Q. Wu, “Electronic Structure Theory of Surface, Interface and Thin Film Magnetism”, J. Magn. Magn. Mater. 100, 497 (1991).


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).


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).


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).

Invited book chapters


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.


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).


R.Q. Wu, “Perspective of Fundamental Research for Nanomagnetism”, edited by J.A.C. Bland and D.L. Mills, (Elsevier, 2006).


A.J. Freeman, K. Nakamura and R.Q. Wu, “Modern Electronic Structure Theory for Complex Properties of Magnetic Materials”, (Scientific Press, 2004).


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).


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).


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.


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.


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.


R.Q. Wu, D.S. Wang, and A.J. Freeman, “Aspects of Modern Magnetism”, Edited by F.C. Pu (World Scientific, Singapore, 1996), p90.


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.