Coulomb-enhanced spin-orbit coupling and semiconductor to half-metal transition under pressure in Sr2CrReO6

	Coulomb-enhanced spin-orbit coupling and semiconductor to half-metal transition under pressure in Sr2CrReO6
	Wang J ; Zu NN ; Wang Y ; Wu ZJ
刊名	physica status solidi-rapid research letters
	2013
卷号	7 期号:8 页码:583-586
关键词	DOUBLE-PEROVSKITE SR2CRREO6 CURIE-TEMPERATURE
ISSN号	1862-6254
通讯作者	wang y
中文摘要	ordered sr2crreo6 has been synthesized recently. it is measured to be ferrimagnetic semiconductor, in contrary to the previous reports of metallic properties. to solve the discrepancy, we have investigated the compound by using the density functional theory. the semiconducting behavior is reproduced by including the electron correlation and spin-orbit coupling simultaneously. the calculated band gap is 0.22 ev, close to the experimental value of 0.21 ev. a large orbital moment of 0.69 mu(b) is found for re, which is caused by the coulomb-enhanced spin-orbit coupling. by applying pressure, a semiconductor to half-metal transition is observed through 5% volume compression. [graphics] (c) 2013 wiley-vch verlag gmbh & co. kgaa, weinheim
收录类别	SCI收录期刊论文
语种	英语
WOS记录号	WOS:000327540900012
公开日期	2014-04-15
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/49688]
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	Wang J,Zu NN,Wang Y,et al. Coulomb-enhanced spin-orbit coupling and semiconductor to half-metal transition under pressure in Sr2CrReO6[J]. physica status solidi-rapid research letters,2013,7(8):583-586.
APA	Wang J,Zu NN,Wang Y,&Wu ZJ.(2013).Coulomb-enhanced spin-orbit coupling and semiconductor to half-metal transition under pressure in Sr2CrReO6.physica status solidi-rapid research letters,7(8),583-586.
MLA	Wang J,et al."Coulomb-enhanced spin-orbit coupling and semiconductor to half-metal transition under pressure in Sr2CrReO6".physica status solidi-rapid research letters 7.8(2013):583-586.