Exceptionally strong magnetism in the 4d perovskites RTcO(3) (R = Ca, Sr, Ba)
文献类型：期刊论文
| 作者 | C. Franchini ; T. Archer ; J. G. He ; X. Q. Chen ; A. Filippetti ; S. Sanvito |
| 刊名 | Physical Review B
 |
| 出版日期 | 2011 |
| 卷号 | 83期号:22 |
| ISSN号 | 1098-0121 |
| 关键词 | total-energy calculations augmented-wave method basis-set oxides |
| 中文摘要 | The evolution of the magnetic ordering temperature of the 4d(3) perovskites RTcO(3) (R = Ca, Sr, Ba) and its relation with its electronic and structural properties has been studied by means of hybrid density functional theory and Monte Carlo simulations. When compared to the most widely studied 3d perovskites the large spatial extent of the 4d shells and their relatively strong hybridization with oxygen weaken the tendency to form Jahn-Teller like orbital ordering. This strengthens the superexchange interaction. The resulting insulating G-type antiferromagnetic ground state is characterized by large superexchange coupling constants (26-35 meV) and Neel temperatures (750-1200 K). These monotonically increase as a function of the R ionic radius due to the progressive enhancement of the volume and the associated decrease of the cooperative rotation of the TcO(6) octahedra. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30331]  |
| 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 | C. Franchini,T. Archer,J. G. He,et al. Exceptionally strong magnetism in the 4d perovskites RTcO(3) (R = Ca, Sr, Ba)[J]. Physical Review B,2011,83(22). |
| APA | C. Franchini,T. Archer,J. G. He,X. Q. Chen,A. Filippetti,&S. Sanvito.(2011).Exceptionally strong magnetism in the 4d perovskites RTcO(3) (R = Ca, Sr, Ba).Physical Review B,83(22). |
| MLA | C. Franchini,et al."Exceptionally strong magnetism in the 4d perovskites RTcO(3) (R = Ca, Sr, Ba)".Physical Review B 83.22(2011). |
入库方式： OAI收割
来源：金属研究所
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