Ferromagnetic interaction between A-site Cu spins in A-site-ordered perovskites A ' Cu3Sn4O12 with A ' = Ca2+, Sr2+, Pb2+, and La3+

	Ferromagnetic interaction between A-site Cu spins in A-site-ordered perovskites A ' Cu3Sn4O12 with A ' = Ca2+, Sr2+, Pb2+, and La3+
	Li HP ; Lv SH ; Han DM ; Liu XJ ; Meng JA
刊名	chemical physics letters
	2010
卷号	494 期号:4-6 页码:213-217
关键词	INITIO MOLECULAR-DYNAMICS TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD CHARGE-TRANSFER BASIS-SET MAGNETORESISTANCE LACU3MN4O12 CACU3MN4O12 CACU3V4O12 METALS
ISSN号	0009-2614
通讯作者	liu xj
中文摘要	the electronic and magnetic properties of the recently synthesized a-site-ordered perovskites a'cu3sn4o12 with a' = ca2+, sr2+, and pb2+ were investigated by use of the density functional theory. the results indicate that the ground states of them are all ferromagnetic insulator and the magnetic properties are determined primarily by the direct ferromagnetic interaction between a-site cu2+ ions, which is consistent with the available experimental results. by replacing bivalent a' ion by trivalent la ion, we found that the electron is injected into a-site cu and lacu3sn4o12 is predicted to be ferromagnetic half-metallic. (c) 2010 elsevier b. v. all rights reserved.
收录类别	SCI收录期刊论文
语种	英语
WOS记录号	WOS:000279743400018
公开日期	2012-04-26
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/43606]
专题	长春应用化学研究所_长春应用化学研究所知识产出_期刊论文
推荐引用方式 GB/T 7714	Li HP,Lv SH,Han DM,et al. Ferromagnetic interaction between A-site Cu spins in A-site-ordered perovskites A ' Cu3Sn4O12 with A ' = Ca2+, Sr2+, Pb2+, and La3+[J]. chemical physics letters,2010,494(4-6):213-217.
APA	Li HP,Lv SH,Han DM,Liu XJ,&Meng JA.(2010).Ferromagnetic interaction between A-site Cu spins in A-site-ordered perovskites A ' Cu3Sn4O12 with A ' = Ca2+, Sr2+, Pb2+, and La3+.chemical physics letters,494(4-6),213-217.
MLA	Li HP,et al."Ferromagnetic interaction between A-site Cu spins in A-site-ordered perovskites A ' Cu3Sn4O12 with A ' = Ca2+, Sr2+, Pb2+, and La3+".chemical physics letters 494.4-6(2010):213-217.