Charge-ordered spinel AlV2O4: High-energy-resolution EELS and computational studies

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	Charge-ordered spinel AlV2O4: High-energy-resolution EELS and computational studies
	Prytz, O ; Flage-Larsen, E ; Gu, L ; Sigle, W ; van Aken, PA ; Tafto, J
刊名	PHYSICAL REVIEW B
	2012
卷号	85 期号:19
关键词	NEAR-EDGE STRUCTURE INITIO MOLECULAR-DYNAMICS 3D TRANSITION-METALS ELECTRONIC-STRUCTURE LOSS SPECTROSCOPY OXIDE SYSTEMS STATES OXIDATION
ISSN号	1098-0121
通讯作者	Prytz, O: Univ Oslo, Dept Phys, POB 1048 Blindern, NO-0316 Oslo, Norway.
中文摘要	The electronic and magnetic structure of the charge-ordered spinel AlV2O4 is studied using a combination of high-energy-resolution electron energy-loss spectroscopy and density functional theory. We find that the vanadium atoms have a fractional valence close to 2.4+ and display a charge and magnetic ordering consistent with previous reports. The oxygen K edge features a prominent prepeak indicative of a strong hybridization of O 2p and V 3d hole states. Experiments at high temperatures confirm a structural transition to a non-charge-ordered state, although no effects of this are observed in the spectra.
收录类别	SCI
资助信息	Norwegian Research Council; European Union under Integrated Infrastructure Initiative [026019 ESTEEM]
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/34697]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Prytz, O,Flage-Larsen, E,Gu, L,et al. Charge-ordered spinel AlV2O4: High-energy-resolution EELS and computational studies[J]. PHYSICAL REVIEW B,2012,85(19).
APA	Prytz, O,Flage-Larsen, E,Gu, L,Sigle, W,van Aken, PA,&Tafto, J.(2012).Charge-ordered spinel AlV2O4: High-energy-resolution EELS and computational studies.PHYSICAL REVIEW B,85(19).
MLA	Prytz, O,et al."Charge-ordered spinel AlV2O4: High-energy-resolution EELS and computational studies".PHYSICAL REVIEW B 85.19(2012).