Spectral and Fermi surface properties from Wannier interpolation

We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of iron. The first step is to perform a conventional first-prin...

詳細記述

書誌詳細
主要な著者: Yates, JR, Wang, X, Vanderbilt, D, Souza, I
フォーマット: Journal article
言語:English
出版事項: 2007