First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO

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	First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO
	Shi LJ (Shi Li-Jie)
刊名	physics letters a
	2010
卷号	374 期号:10 页码:1292-1296
关键词	Ferromagnetism Half-metal Double-exchange mechanism TEMPERATURE FERROMAGNETISM ELECTRIC PROPERTIES ZNO FILMS II-VI SEMICONDUCTORS SPINTRONICS MODEL SPIN GAS
通讯作者	shi, lj, beijing inst technol, sch mse, beijing 100081, peoples r china. e-mail address: ljshi@bit.edu.cn
合作状况	其它
英文摘要	using first-principles band structure methods, we have systematically studied the electronic structures, magnetic stabilities, and half-metal properties of 3d transition-metal (tm) doped rocksalt mgo compounds tmmg3o4 (tm = v, cr, mn, fe, co, and ni). the calculations reveal that only crmg3o4 has a ferromagnetic stability among the six compounds, which is explained by double-exchange mechanism. the magnetic stability is affected by the doping concentration of tm if the top valance band is composed of partially occupied t(2g) states. in addition, crmg3o4 is a half-metallic ferromagnet. the origins of half-metallic and ferromagnetic properties are explored. the curie temperature (t-c) of crmg3o4 is 182 k. and it is hard for crmg3o4 to deform due to the large bulk modulus and shear modulus, so it is a promising spintronic material. our calculations provide the first available information on the magnetic properties of 3d tm-doped mgo.; submitted by 阎军 (yanj@red.semi.ac.cn) on 2010-04-13t02:21:45z no. of bitstreams: 1 first-principles prediction of the magnetism of 3d transition-metal-doped rocksalt mgo.pdf: 397747 bytes, checksum: c722952df638a3b0c58c0f4d2e3af2c6 (md5); approved for entry into archive by 阎军(yanj@red.semi.ac.cn) on 2010-04-13t02:30:38z (gmt) no. of bitstreams: 1 first-principles prediction of the magnetism of 3d transition-metal-doped rocksalt mgo.pdf: 397747 bytes, checksum: c722952df638a3b0c58c0f4d2e3af2c6 (md5); made available in dspace on 2010-04-13t02:30:38z (gmt). no. of bitstreams: 1 first-principles prediction of the magnetism of 3d transition-metal-doped rocksalt mgo.pdf: 397747 bytes, checksum: c722952df638a3b0c58c0f4d2e3af2c6 (md5) previous issue date: 2010; 其它
学科主题	半导体物理
收录类别	SCI
语种	英语
公开日期	2010-04-13 ; 2010-10-15
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/11140]
专题	半导体研究所_半导体超晶格国家重点实验室
推荐引用方式 GB/T 7714	Shi LJ . First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO[J]. physics letters a,2010,374(10):1292-1296.
APA	Shi LJ .(2010).First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO.physics letters a,374(10),1292-1296.
MLA	Shi LJ ."First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO".physics letters a 374.10(2010):1292-1296.