Ab initio investigation of magnetic transport properties by Wannier interpolation
文献类型：期刊论文
| 作者 | Liu, Y ; Zhang, HJ ; Yao, YG |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2009 |
| 卷号 | 79期号:24 |
| 关键词 | ELECTRON-GAS METALS MGB2 SUPERCONDUCTIVITY MAGNETORESISTANCE |
| ISSN号 | 1098-0121 |
| 通讯作者 | Liu, Y: Chinese Acad Sci, Inst Phys, POB 603, Beijing 100190, Peoples R China. |
| 中文摘要 | We present an efficient ab initio approach for the study of magnetic transport properties based on the Boltzmann equation with the Wannier interpolation scheme. Within the relaxation-time approximation, band-resolved electric conductivity under a finite magnetic field is obtained and the historical motion of the electron wave packet in reciprocal space is determined. As a typical application of this method, we have calculated the electric conductivities of MgB(2) under finite magnetic fields. Multiband characters for the individual bands are revealed, and the field dependence of the conductivity tensor is studied systematically with the field orientated parallel and normal to the c axis, respectively. The obtained historical motion is employed to simulate directly the cyclotron motion in the extremal orbit and determine the corresponding effective mass. Moreover, this approach is further exploited to calculate the Hall coefficient in the low-field limit without the complicated computation for the second k derivative of the band. |
| 收录类别 | SCI |
| 资助信息 | Natural Science Foundation of China [10674163, 10534030]; MOST Project [2006CB921300, 2007CB925000]; Knowledge Innovation Project of the Chinese Academy of Sciences |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33376]  |
| 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 | Liu, Y,Zhang, HJ,Yao, YG. Ab initio investigation of magnetic transport properties by Wannier interpolation[J]. PHYSICAL REVIEW B,2009,79(24). |
| APA | Liu, Y,Zhang, HJ,&Yao, YG.(2009).Ab initio investigation of magnetic transport properties by Wannier interpolation.PHYSICAL REVIEW B,79(24). |
| MLA | Liu, Y,et al."Ab initio investigation of magnetic transport properties by Wannier interpolation".PHYSICAL REVIEW B 79.24(2009). |
入库方式： OAI收割
来源：物理研究所
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