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

共 50 条

[31] Crystallographic and magnetic structure of ZnV2O4 -: Structural phase transition due to spin-driven Jahn-Teller distortions
Reehuis, M
Krimmel, A
Büttgen, N
Loidl, A
Prokofiev, A
EUROPEAN PHYSICAL JOURNAL B, 2003, 35 (03): : 311 - 316
[32] Activating ZnV2O4 by an Electrochemical Oxidation Strategy for Enhanced Energy Storage in Zinc-Ion Batteries
Wu, Tzu-Ho
Ni, Kung-Yi
Liu, Bo -Tau
Wang, Shih-Han
ACS APPLIED ENERGY MATERIALS, 2022, 5 (08) : 10196 - 10206
[33] From the geometrically frustrated antiferromagnets ZnV2O4 and ZnCr2O4 to the heavy-mass Fermi liquid LiV2O4
Kondo, S
Urano, C
Kurihara, Y
Nohara, M
Takagi, H
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2000, 69 : 139 - 143
[34] Porous ZnV2O4 Nanowire for Stable and High-Rate Lithium-Ion Battery Anodes
De Juan-Corpuz, Lyn Marie Z.
Mai Thanh Nguyen
Corpuz, Ryan D.
Yonezawa, Tetsu
Rosero-Navarro, Nataly Carolina
Tadanaga, Kiyoharu
Tokunaga, Tomoharu
Kheawhom, Soorathep
ACS APPLIED NANO MATERIALS, 2019, 2 (07) : 4247 - 4256
[35] Nanophase ZnV2O4 as stable and high capacity Li insertion electrode for Li-ion battery
Zhu, Xiaoming
Jiang, Xiaoyu
Xiao, Lifen
Ai, Xinping
Yang, Hanxi
Cao, Yuliang
CURRENT APPLIED PHYSICS, 2015, 15 (04) : 435 - 440
[36] Optical properties and electronic structure of spinel ZnRh2O4
Singh, DJ
Rai, RC
Musfeldt, JL
Auluck, S
Singh, N
Khalifah, P
McClure, S
Mandrus, DG
CHEMISTRY OF MATERIALS, 2006, 18 (11) : 2696 - 2700
[37] On First Principles of the Electronic Structure of Spinel LiMn2O4
安勇良
俞泽民
梁慧燕
潘冠军
哈尔滨理工大学学报, 2009, (05) : 8 - 11
[38] Electronic structure of spinel-type LiV2O4
Matsuno, J
Fujimori, A
Mattheiss, LF
PHYSICAL REVIEW B, 1999, 60 (03): : 1607 - 1610
[39] Porous structure ZnV2O4/C-N composite activating vanadium-based cathode in aqueous zinc-ion batteries
Li, Shijia
Qin, Liping
Li, Lijun
Cheng, Hao
Fang, Guozhao
Liang, Shuquan
Zhu, Qi
Chen, Mengmeng
MATERIALS TODAY COMMUNICATIONS, 2021, 27
[40] Synthesis, evolution and hydrogen storage properties of ZnV2O4 glomerulus nano/microspheres: A prospective material for energy storage
Butt, Faheem K.
Cao, Chuanbao
Wan, Qi
Li, Ping
Idrees, Faryal
Tahir, Muhammad
Khan, Waheed S.
Ali, Zulfiqar
Zapata, Maximiliano J. M.
Safdar, Muhammad
Qu, Xuanhui
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2014, 39 (15) : 7842 - 7851

← 1 2 3 4 5 →