ELECTRONIC BAND-STRUCTURE AND MAGNETIC AND OPTICAL-PROPERTIES OF FE7SE8 AND CO7SE8

被引：19

作者：

IKEDA, H

SHIRAI, M

SUZUKI, N

MOTIZUKI, K

机构：

[1] OSAKA UNIV,FAC ENGN SCI,DEPT MAT PHYS,TOYONAKA,OSAKA 560,JAPAN

[2] OKAYAMA UNIV SCI,FAC SCI,DEPT PHYS,OKAYAMA 700,JAPAN

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 1995年 / 140卷

关键词：

D O I：

10.1016/0304-8853(94)00678-4

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First-principles electronic band structure calculations are performed for cation-deficient NiAs-type transition-metal compounds Fe7Se8 and Co7Se8 by using the LAPW method. The magnetic moment calculated for ferrimagnetic Fe7Se8 agrees well with the observed value. Photoemission and optical conductivity spectra are calculated for both compounds and the results are compared with the observations.

引用

页码：159 / 160

页数：2

共 10 条

[1]

ADACHI K, 1988, LANDOLTBORNSTEIN A, V27, P70

[2] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM [J].