【摘要】 通过第一性原理计算,我们研究了LaOMnSe的结构、电子性质和磁性质.我们发现LaOMnSe在Γ点附近存在三个类空穴费米面,在M点附近有两个类电子费米面.如果将类空穴费米面平移(π,π,0),则类空穴费米面就会和类电子费米面在很大程度上重叠,这种费米面嵌套将会导致磁不稳定性和自旋密度波(SDW),和LaOFeAs的性质很相似,这主要是因为LaOMnSe的结构和LaOFeAs的很相似,LaOMnSe有望通过电子掺杂或空穴掺杂成为超导体.更多还原

【Abstract】 By the first-principles calculations,we studied the structure,electronic and magnetic properties of LaOMnSe.there are three hole-like Fermi surfaces around Γ-point and two electron-like Fermi surfaces around M-point.The hole-like Fermi surfaces will strongly overlap with electron-like Fermi surfaces if they are shifted by the q vector(π,π,0).Such Fermi surfaces nesting will induce magnetic instability and spin density wave(SDW),which is similar toLaOFeAs.Because of so much similarity to LaOFeAs,LaOMnSe isexpected to become superconductor with electron or hole doping.更多还原