The first principle study on the electronic structure and spin ordering of the rare earth palladium sulfide, EuPd3S4
文献类型：期刊论文
| 作者 | K. L. Yao ; L. Q. Wang ; Z. L. Liu |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2004 |
| 卷号 | 130期号:11页码:741-744 |
| 关键词 | FP_LAPW LSDA-SIC AFM hybridization bronzes rpd3s4 |
| ISSN号 | 0038-1098 |
| 中文摘要 | We have performed relativistic first-principles full-potential linearized augmented plane wave (FLAPW) calculation for rare earth palladium sulfide EuPd3S4 in the ferromagnetic and antiferromagnetic states. The density of 4f electrons of Eu is taken from a local-spin-density approximation self-interaction correction (LSDA-SIC) atomic calculation. EuPd3S4 is found to exhibit anti ferromagnetic ordering in its ground state. The charge, orbital, magnetic moment and spin ordering are explained with the electronic structure, the orbital-projected density of states and the total energy study. EuPd3S4 is found to be stable in the body-centered Type-I antiferromagnetic state, in agreement with experimental results. Different Eu states are found in antiferromagnetic ordering. The magnetic moments of different states obtained through spin-polarized calculation are also in good agreement with experimental results. The phenomena observed are explained by the orbital hybridization of Eu and Pd ions as compared with the free ions. (C) 2004 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35681]  |
| 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 | K. L. Yao,L. Q. Wang,Z. L. Liu. The first principle study on the electronic structure and spin ordering of the rare earth palladium sulfide, EuPd3S4[J]. Solid State Communications,2004,130(11):741-744. |
| APA | K. L. Yao,L. Q. Wang,&Z. L. Liu.(2004).The first principle study on the electronic structure and spin ordering of the rare earth palladium sulfide, EuPd3S4.Solid State Communications,130(11),741-744. |
| MLA | K. L. Yao,et al."The first principle study on the electronic structure and spin ordering of the rare earth palladium sulfide, EuPd3S4".Solid State Communications 130.11(2004):741-744. |
入库方式： OAI收割
来源：金属研究所
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