潜在超导母体材料LaOMnSe的第一性原理研究  

LaOMnSe:A POTENTIASL PARENT COMPOUND OF UPERCONDUCTOR

作　　者：张敏平[1] 王广涛[1] 

机构地区：[1]河南师范大学物理系信息与工程学院,河南新乡453007

出　　处：《低温物理学报》2012年第1期32-36,共5页Low Temperature Physical Letters

基　　金：国家自然科学基金(批准号:10947001)资助的课题~~

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.By the first-principles calculations, we studied the structure, electronic and magnetic properties of LaOMnSe. there are three hole-like Fermi surfaces around P -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,O）. 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.

关 键 词：第一原理计算 磁性 超导 

分 类 号：O511[理学—低温物理]