A LINEARIZED DIRECT APPROACH FOR CALCULATING THE STATIC RESPONSE IN SOLIDS

被引：12

作者：

SAVRASOV, SY

机构：

[1] P.N. Lebedev Physical Institute, the USSR Academy of Sciences Leninskii Prospect 53

来源：

SOLID STATE COMMUNICATIONS | 1990年 / 74卷 / 02期

关键词：

D O I：

10.1016/0038-1098(90)90607-D

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The density functional theory (DFT) is used to calculate the change in electronic charge density caused by a static external field with an arbitrary q-wavevector symmetry. This change is expressed through first order corrections to one-particle wave functions which can be derived directly from the effective DFT equations. It is shown how these corrections can be constructed in the angular momentum representation by utilizing band methods. The theory is applied to lattice dynamics of transition metals. Numerical results that agree with experimental data are presented for transverse vibration modes in Nb and Mo. © 1990.

引用

页码：69 / 72

页数：4

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