BAND THEORY FOR GROUND-STATE PROPERTIES AND EXCITATION-SPECTRA OF PEROVSKITE LAMO(3) (M=MN, FE, CO, NI)

被引：273

作者：

SARMA, DD ^{[1
]}

SHANTHI, N ^{[1
]}

BARMAN, SR ^{[1
]}

HAMADA, N ^{[1
]}

SAWADA, H ^{[1
]}

TERAKURA, K ^{[1
]}

机构：

[1] JOINT RES CTR ATOM TECHNOL, TSUKUBA, IBARAKI 305, JAPAN

来源：

PHYSICAL REVIEW LETTERS | 1995年 / 75卷 / 06期

关键词：

D O I：

10.1103/PhysRevLett.75.1126

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

It is shown that the local spin-density approximation describes well electronic structures of perovskite LaMO(3) (M = Mn, Fe, Co, Ni) for the ground-state and single-electron excited-state properties. Inclusion of details of crystal structures distorted from the cubic structure is crucial to reproduce different magnetic structures and insulating states. Calculated x-ray photoemission spectra are in very good agreement with experimental ones, and its angular momentum characters are in conformity with ultraviolet photoemission spectra.

引用

页码：1126 / 1129

页数：4

共 41 条

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