STATE-TRACKING 1ST-PRINCIPLES DETERMINATION OF MAGNETOCRYSTALLINE ANISOTROPY
文献类型：期刊论文
| 作者 | WANG, DS ; WU, RQ ; FREEMAN, AJ |
| 刊名 | PHYSICAL REVIEW LETTERS
 |
| 出版日期 | 1993 |
| 卷号 | 70期号:6页码:869 |
| ISSN号 | 0031-9007 |
| 通讯作者 | WANG, DS (reprint author), NORTHWESTERN UNIV,DEPT PHYS & ASTRON,EVANSTON,IL 60208, USA. |
| 中文摘要 | A state-tracking method is proposed for the determination of the magnetocrystalline anisotropy (MCA) energy, in which the spin-orbit coupling perturbed occupied states are defined according to their wave functions as related to the unperturbed occupied states, instead of their energies. This ensures that the force theorem is well satisfied-a very important feature in all non-self-consistent perturbative procedures. In calculations for the effect of strain on the MCA of an Fe monolayer (using the full-potential linearized augmented plane-wave method), highly stable results were obtained even with a small number of k points (10(2) in the full Brillouin zone) versus the 10(4) points needed previously. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/53053]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | WANG, DS,WU, RQ,FREEMAN, AJ. STATE-TRACKING 1ST-PRINCIPLES DETERMINATION OF MAGNETOCRYSTALLINE ANISOTROPY[J]. PHYSICAL REVIEW LETTERS,1993,70(6):869. |
| APA | WANG, DS,WU, RQ,&FREEMAN, AJ.(1993).STATE-TRACKING 1ST-PRINCIPLES DETERMINATION OF MAGNETOCRYSTALLINE ANISOTROPY.PHYSICAL REVIEW LETTERS,70(6),869. |
| MLA | WANG, DS,et al."STATE-TRACKING 1ST-PRINCIPLES DETERMINATION OF MAGNETOCRYSTALLINE ANISOTROPY".PHYSICAL REVIEW LETTERS 70.6(1993):869. |
入库方式： OAI收割
来源：物理研究所
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