1.Guang-Tao Wang, Xi Dai, and Zhong Fang. “Phase Diagram of NaxCoO2 Studied by Gutzwiller Density Functional Theory” Physical Review Letters 101 066403(2008). 2.GuangTao Wang, Yumin Qian, Gang Xu, Xi Dai, and Zhong Fang “Gutzwiller Density Functional Studies of FeAs-Based Superconductors: Structure Optimization and Evidence for a Three-Dimensional Fermi Surface” Physical Review Letters 104, 047002 (2010). 3.Guangtao Wang, Minping Zhang, Lihua Zheng and Zongxian Yang, “Band structure and Fermi surface of (Sr2VO3)2Fe2As2 and (Sr2ScO3)2Fe2As2” Physical Review B 80, 184501 (2009). 4.Guangtao Wang, Lihua Zheng, Minping Zhang, and Zongxian Yang “Suppression of magnetism in SrFe2−xRuxAs2: First-principles calculations” Physical Review B 81, 014521(2010) 5.Guangtao Wang, Zhen Li, Lihua Zheng, and Zongxian Yang “First-principles study on the orbital ordering of KCrF3” Physical Review B 84, 045111 (2011) 6.Guang-TaoWang,Min-Ping Zhang, Zong-Xian Yang and Zhong Fang “Orbital orderings and optical conductivity of SrRuO3 and CaRuO3: first-principles studies” J. Phys.: Condens. Matter 21 (2009) 265602 7.GuangtaoWang, Yongcheng Liang, Lihua Zheng and Zongxian Yang “The band structure and Fermi surface of (Sr3Sc2O5)Fe2As2” J. Phys.: Condens. Matter 21 (2009) 415702 8.Guangtao Wang, Lihua Zheng, Minping Zhang and Zongxian Yang “The first-principles studying LaOMnSe: a possible parent compound of superconductor” Physics Letters A 374, 351 (2009). 9. Guangtao Wang, Minping Zhang, Lihua Zheng, Zongxian Yang “Potential parent compound of superconductor: Sr2CuM2As2O2 (M=Mn, Fe)” Physics Letters A 374 (2010) 4727–4731 10. Guangtao Wang, Minping Zhang, Zhen Li and Zongxian Yang “The electronic structure of LaCo2B2” Europhysics Letters Vol.95 (2011) 17001 |