Magnetic susceptibility of insulators from first principles

被引:76
作者
Mauri, F [1 ]
Louie, SG [1 ]
机构
[1] UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT SCI,BERKELEY,CA 94720
关键词
D O I
10.1103/PhysRevLett.76.4246
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present an ab initio approach for the computation of the magnetic susceptibility chi of insulators. The approach is applied to compute chi in diamond and in solid neon using density functional theory in the local density approximation, obtaining good agreement with experimental data. In solid neon, we predict an observable dependence of chi upon pressure.
引用
收藏
页码:4246 / 4249
页数:4
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