Electronic structure of dimerized spinel ZnV2O4

被引：3

作者：

Baldomir, D. ^{[1
,2
]}

Pardo, V. ^{[1
,2
]}

Blanco-Canosa, S. ^{[3
]}

Rivadulla, F. ^{[3
]}

Khomskii, D. I. ^{[4
]}

Wu, Hua ^{[4
]}

Pineiro, A. ^{[1
,2
]}

Arias, J. E. ^{[2
]}

Rivas, J. ^{[1
]}

机构：

[1] Univ Santiago de Compostela, Dept Fis Aplicada, E-15782 Santiago De Compostela, Spain

[2] Univ Santiago de Compostela, Inst Invest Tecnol, E-15782 Santiago De Compostela, Spain

[3] Univ Santiago de Compostela, Dept Quim Fis, E-15782 Santiago De Compostela, Spain

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

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2009年 / 321卷 / 07期

关键词：

Metal-insulator transition; Electronic structure calculations; Magnetic frustration;

D O I：

10.1016/j.jmmm.2008.11.023

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Electronic structure calculations were performed for ZnV2O4, a material close to a metal-insulator transition. Structural optimization leads to the formation of V-V dimers along the off-plane chains. A strong spin-lattice coupling is expected close to the transition to itinerancy. No orbital ordering is observed in such a structure, and the experimentally found magnetic structure is naturally explained. (C) 2008 Elsevier B. V. All rights reserved.

引用

页码：679 / 681

页数：3

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