研究方向
主要從事計算凝聚態物理方面的研究,即利用現代的大規模並行計算機,通過計算和模擬的手段來研究材料的物性,探索微觀系統的物理規律,預測材料的結構和物理性質及其相互關係,為新型材料的開發和套用提供科學的依據。研究方向包括:
1. 過渡金屬氧化物材料第一原理計算研究
2. 功能材料的電、磁、光學特性的第一原理計算研究
3. 強關聯體系中的電子軌道有序等問題
過去的主要工作及獲得的成果
共發表SCI論文21餘篇,其中包括Science文章1篇,Phys. Rev. Lett. 文章2篇,共被他引100餘次。 承擔一項國家自然基金(14萬),校啟動基金(30萬)
發表論文
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