Structural transitions and transport-half-metallic ferromagnetism in LaMnO3 at elevated pressure
文献类型：期刊论文
| 作者 | J. G. He ; M. X. Chen ; X. Q. Chen ; C. Franchini |
| 刊名 | Physical Review B
 |
| 出版日期 | 2012 |
| 卷号 | 85期号:19 |
| 关键词 | electronic-structure magnetic-structures band-structure manganites physics system |
| ISSN号 | 1098-0121 |
| 中文摘要 | By means of hybrid density functional theory we investigate the evolution of the structural, electronic, and magnetic properties of the colossal magnetoresistance (CMR) parent compound LaMnO3 under pressure. We predict a transition from a low-pressure antiferromagnetic (AFM) insulator to a high-pressure ferromagnetic (FM) transport half metal (tHM), characterized by a large spin polarization (approximate to 80-90%). The FM-tHM transition is associated with a progressive quenching of the cooperative Jahn-Teller (JT) distortions which transform the Pnma orthorhombic phase into a perfect cubic one (through a mixed phase in which JT-distorted and regular MnO6 octahedra coexist), and with a high-spin (S = 2, m(Mn) = 3.7 mu(B)) to low-spin (S = 1, m(Mn) = 1.7 mu(B)) magnetic moment collapse. These results interpret the progression of the experimentally observed non-Mott metalization process and open up the possibility of realizing CMR behaviors in a stoichiometric manganite. |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/59996]  |
| 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. G. He,M. X. Chen,X. Q. Chen,et al. Structural transitions and transport-half-metallic ferromagnetism in LaMnO3 at elevated pressure[J]. Physical Review B,2012,85(19). |
| APA | J. G. He,M. X. Chen,X. Q. Chen,&C. Franchini.(2012).Structural transitions and transport-half-metallic ferromagnetism in LaMnO3 at elevated pressure.Physical Review B,85(19). |
| MLA | J. G. He,et al."Structural transitions and transport-half-metallic ferromagnetism in LaMnO3 at elevated pressure".Physical Review B 85.19(2012). |
入库方式： OAI收割
来源：金属研究所
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