First-principles quantum transport with electron-vibration interactions: A maximally localized Wannier functions approach
We present a first-principles approach for inelastic quantum transport calculations based on maximally localized Wannier functions. Electronic-structure properties are obtained from density-functional theory in a plane-wave basis, and electron-vibration coupling strengths and vibrational properties...
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| 格式: | 文件 |
| 语言: | en_US |
| 出版: |
American Physical Society
2014
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| 在线阅读: | http://hdl.handle.net/1721.1/88698 |