First-principles study of electronic and magnetic structure in layered cobaltite Na0.75CoO2

被引：12
|
作者：
Okabe, H
Matoba, M
Kyomen, T
Itoh, M
机构：
[1] Keio Univ, Dept Appl Phys & Physicoinformat, Yokohama, Kanagawa 2238522, Japan
[2] Tokyo Inst Technol, Mat & Struct Lab, Yokohama, Kanagawa 2268503, Japan
来源：
JOURNAL OF APPLIED PHYSICS | 2004年 / 95卷 / 11期
关键词：
D O I：
10.1063/1.1691211
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The electronic structure of Na0.75CoO2 has been calculated by the LDA+U method, considering the location of Na ions. The magnetic moments of Co ions are strongly influenced by the bond distances between the Co and Na ions, and are unusually distributed. This implies the occurrence of a charge disproportionation state (2Co(3.25+)-->Co3.25+delta+Co3.25-delta) in this material. The magnetic ground state of Na0.75CoO2 is therefore a spin-glass-like, short-range ordered state resulting from randomly distributed magnetic Co ions. (C) 2004 American Institute of Physics.
引用
收藏
页码：6831 / 6833
页数：3
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