CALCULATION OF MAGNETOOPTICAL PROPERTIES FOR 4F SYSTEMS - LSDA PLUS HUBBARD-U RESULTS

被引：153

作者：

HARMON, BN

ANTROPOV, VP

LIECHTENSTEIN, AI

SOLOVYEV, IV

ANISIMOV, VI

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,AMES LAB,AMES,IA 50010

[2] INST PHYS MET,SVERDLOVSK,RUSSIA

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1995年 / 56卷 / 11期

关键词：

MAGNETIC MATERIALS; OPTICAL MATERIALS; ELECTRONIC STRUCTURE; MAGNETIC PROPERTIES; OPTICAL PROPERTIES;

D O I：

10.1016/0022-3697(95)00122-0

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The electronic structure of gadolinium metal and CeSb has been calculated using a density functional method which explicitly includes the Coulomb parameter U for the 4f-electrons. The calculated density of states, total energies, Fermi surface, and magneto-optical properties are in better agreement with experiment than those obtained with the standard local density technique.

引用

页码：1521 / 1524

页数：4

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