First principles calculations of Co-doped zinc-blende ZnO magnetic semiconductor
文献类型：期刊论文
| 作者 | J. Zhang ; K. L. Yao ; Z. L. Liu ; G. Y. Gao |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2010 |
| 卷号 | 405期号:6页码:1447-1451 |
| 关键词 | Electronic structure First-principles Diluted magnetic semiconductor room-temperature ferromagnetism electrical spin injection electronic-structure transition films |
| ISSN号 | 0921-4526 |
| 中文摘要 | We have investigated the electronic structure of Co-doped zinc-blende ZnO using first principles full potential linearized augmented plane-wave (FP-LAPW) method. The relative stability of the ground state, the density of states and the electronic band Structure are examined The results reveal that the anti ferromagnetism (AFM) state is the ground state and the ferromagnetism (FM) state is the metastable one The obtained electronic structure reveal that the Co-doped zinc-blende ZnO exhibits metallic with LDA while a semiconductor within the LDA+U scheme in the AFM ground state The magnetic moments mainly arise from the Co atom with a little contribution from the nearest-neighboring O atoms due to the hybridization between the Co 3d states and the nearest-neighboring O 2p states. (C) 2009 Elsevier B.V All rights reserved |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31705]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | J. Zhang,K. L. Yao,Z. L. Liu,et al. First principles calculations of Co-doped zinc-blende ZnO magnetic semiconductor[J]. Physica B-Condensed Matter,2010,405(6):1447-1451. |
| APA | J. Zhang,K. L. Yao,Z. L. Liu,&G. Y. Gao.(2010).First principles calculations of Co-doped zinc-blende ZnO magnetic semiconductor.Physica B-Condensed Matter,405(6),1447-1451. |
| MLA | J. Zhang,et al."First principles calculations of Co-doped zinc-blende ZnO magnetic semiconductor".Physica B-Condensed Matter 405.6(2010):1447-1451. |
入库方式： OAI收割
来源：金属研究所
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