Unconventional magnetism as a consequence of the charge disproportionation and the molecular orbital formation in Ba4Ru3O10

被引：43

作者：

Streltsov, S. V. ^{[1
,2
]}

Khomskii, D. I. ^{[3
]}

机构：

[1] Inst Met Phys, Ekaterinburg 620990, Russia

[2] Ural Fed Univ, Ekaterinburg 620002, Russia

[3] Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany

来源：

PHYSICAL REVIEW B | 2012年 / 86卷 / 06期

基金：

俄罗斯基础研究基金会;

关键词：

STRONGLY CORRELATED SYSTEMS; ELECTRONIC-STRUCTURE; SPECTRA;

D O I：

10.1103/PhysRevB.86.064429

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The magnetic and electronic properties of Ba4Ru3O10 were investigated by the ab initio and model calculations. It is shown that nonmagnetic ground state of the one-third Ru4+ ions is not due to the correlation effects. It is rather caused by the charge disproportionation between crystallographically different Ru and the molecular orbital formation in the Ru's trimer.

引用

页数：5

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