Methodology development

   We have been developing and applying methods and codes for theoretical studies of various materials properties such as magnetic anisotropy, magneto-optics, magnetostriction, linear and non-linear optics, and transport of a wide range of materials.

1. 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
2. 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).  pdf
3. 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).  pdf
4. 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).  pdf
5. 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