Theoretical study of orbital ordering in YTiO3

被引：33

作者：

Sawada, H

Hamada, N

Terakura, K

机构：

[1] SCI UNIV TOKYO, NODA, CHIBA 278, JAPAN

[2] JRCAT, NAIR, TSUKUBA, IBARAKI 305, JAPAN

来源：

PHYSICA B-CONDENSED MATTER | 1997年 / 237卷

关键词：

transition metal oxides; orbital ordering; magnetic structure; YTiO3;

D O I：

10.1016/S0921-4526(97)00043-4

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure calculation is performed to study the orbital ordering in YTiO3. Significant improvement of the results based on the local spin-density approximation is obtained by the generalized gradient approximation (GGA). The orbital ordering obtained by GGA is in good agreement with the experimental result and the Hartree-Fock calculation.

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页码：46 / 47

页数：2

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