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...

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Bibliographic Details
Main Authors: Chen, Yu-Chang, 陳昱璋
Format: Others
Language:zh-TW
Published: 2014
Online Access:http://ndltd.ncl.edu.tw/handle/hms6r2