First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO
文献类型：期刊论文
| ; | |
| 作者 | Shi LJ (Shi Li-Jie); Shi, LJ, Beijing Inst Technol, Sch MSE, Beijing 100081, Peoples R China. E-mail Address: ljshi@bit.edu.cn |
| 刊名 | physics letters a
 ; PHYSICS LETTERS A
|
| 出版日期 | 2010 ; 2010 |
| 卷号 | 374期号:10页码:1292-1296 |
| 关键词 | Ferromagnetism Ferromagnetism Half-metal Double-exchange Mechanism Temperature Ferromagnetism Electric Properties Zno Films Ii-vi Semiconductors Spintronics Model Spin Gas 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.; 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 ; 半导体物理 |
| 收录类别 | SCI |
| 语种 | 英语 ; 英语 |
| 公开日期 | 2010-04-13 ; 2010-04-13 ; 2010-10-15 |
| 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 |
| 通讯作者 | Shi, LJ, Beijing Inst Technol, Sch MSE, Beijing 100081, Peoples R China. E-mail Address: ljshi@bit.edu.cn |
| 推荐引用方式 GB/T 7714 | Shi LJ ,Shi, LJ, Beijing Inst Technol, Sch MSE, Beijing 100081, Peoples R China. E-mail Address: ljshi@bit.edu.cn. First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO, First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO[J]. physics letters a, PHYSICS LETTERS A,2010, 2010,374, 374(10):1292-1296, 1292-1296. |
| APA | Shi LJ ,&Shi, LJ, Beijing Inst Technol, Sch MSE, Beijing 100081, Peoples R China. E-mail Address: ljshi@bit.edu.cn.(2010).First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO.physics letters a,374(10),1292-1296. |
| MLA | Shi LJ ,et al."First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO".physics letters a 374.10(2010):1292-1296. |
入库方式： OAI收割
来源：半导体研究所
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