Wannier functions of magnetic atoms in nanojunctions and bulk materials
碩士 === 國立交通大學 === 電子物理系所 === 102 === In this thesis, we have applied the maximally localized Wannier function approach[Wannier90] to a density function theory based first principle code[Quantum espresso]. In order to understand the behavior of magnetic atom in different environment, we calculate thr...
| Main Authors: | , |
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2014
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| Online Access: | http://ndltd.ncl.edu.tw/handle/hms6r2 |