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...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Physical Society
2014
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| Online Access: | http://hdl.handle.net/1721.1/88698 |