LaOFeAs的反铁磁能带结构  

The band structure in antiferromagnetic LaOFeAs

作　　者：麻焕锋[1] 黄整[1] 强伟荣[1] 王龙[1] 梁方艳[1] 潘敏[2] 赵勇[2] 

机构地区：[1]西南交通大学物理科学与技术学院,成都610031 [2]西南交通大学材料先进技术教育部重点实验室,超导研究开发中心,成都610031

出　　处：《原子与分子物理学报》2009年第3期565-569,共5页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(50588201,10874142);国家重大基础科学研究(973)项目(2007CB616906)

摘　　要：基于密度泛函理论(DFT),采用线性缀加平面波展式结合改进的局域轨道方法(APW+lo),对新型超导材料LaOFeAs的结构进行了计算和分析.反铁磁计算的结果表明,由于巡游电子的贡献,系统具有负的磁矩.费米面附近两种自旋电子的能带在Γ点附近具有显著差异,自旋向下的一条空带在此形成了与自旋向上未满填充导带局域相似的结构.而在其他K点,这两种自旋能带的结构基本相同.Based on the density functional theory (DFT),using full-potential linearized augmented plane wave and improved local orbital (APW+lo) ,the structure of the new superconductors LaOFeAs are analyzed and calculated. The result of calculation with antiferromagnetics shows that the compound has the minus magnetic moment because of itinerant electron magnetism. Significantly different at about Γ point around EF of two kinds of spin-electrons,and unoccupied band with spin down electrons has the similar structure with non-full conduction band with spin up electrons. But the two band structures of spin electrons are similar in other K points.

关 键 词：LaOFeAs 反铁磁性 能带结构 

分 类 号：O482[理学—固体物理]