First-principles prediction of the magnetism of 3d transition-metal-doped rocksalt mgo
文献类型：期刊论文
| 作者 | Shi, Li-Jie1,2 |
| 刊名 | Physics letters a
 |
| 出版日期 | 2010-02-22 |
| 卷号 | 374期号:10页码:1292-1296 |
| 关键词 | Ferromagnetism Half-metal Double-exchange mechanism |
| ISSN号 | 0375-9601 |
| DOI | 10.1016/j.physleta.2010.01.010 |
| 通讯作者 | Shi, li-jie(ljshi@bit.edu.cn) |
| 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 tmmg(3)o(4) (tm = v, cr, mn, fe, co, and ni). the calculations reveal that only crmg(3)o(4) 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, crmg(3)o(4) is a half-metallic ferromagnet. the origins of half-metallic and ferromagnetic properties are explored. the curie temperature (t(c)) of crmg(3)o(4) is 182 k. and it is hard for crmg(3)o(4) 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. (c) 2010 published by elsevier b.v. |
| WOS关键词 | TEMPERATURE FERROMAGNETISM ; ELECTRIC PROPERTIES ; ZNO FILMS ; II-VI ; SEMICONDUCTORS ; SPINTRONICS ; MODEL ; SPIN ; GAS |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000275777700017 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2428073 |
| 专题 | 半导体研究所 |
| 通讯作者 | Shi, Li-Jie |
| 作者单位 | 1.Beijing Inst Technol, Sch MSE, Beijing 100081, Peoples R China 2.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shi, Li-Jie. First-principles prediction of the magnetism of 3d transition-metal-doped rocksalt mgo[J]. Physics letters a,2010,374(10):1292-1296. |
| APA | Shi, Li-Jie.(2010).First-principles prediction of the magnetism of 3d transition-metal-doped rocksalt mgo.Physics letters a,374(10),1292-1296. |
| MLA | Shi, Li-Jie."First-principles prediction of the magnetism of 3d transition-metal-doped rocksalt mgo".Physics letters a 374.10(2010):1292-1296. |
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来源：半导体研究所
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