the National Natural Science Foundation of China (50588201,50872116);the National High-Tech Research Program of China (2007AA03Z203);the PCSIRT of the Ministry of Education of China (IRT0751);the Innovation Fund for Ph. D. Students of Southwest Jiaotong University (2009);Fundamental Research Funds for the Central Universities (SWJTU09BR154,SWJTU09ZT24);the SRFDP (200806130023,200806130034);the Australian Research Council(DP0559872,DP0881739)
采用密度泛函理论(density functional theory,DFT)中的线性缀加平面波结合增强局域轨道(linearized augmented plane waveand the improved local orbital,APW+lo)的方法研究了新型铁基超导体 LaOFeAs,SrFe2As2, CaFe2As2, LiFeAs,NaF...