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Extraction of different electronic contributions to transport properties of transition metals from first principles

Galtsov, I. S. et al.
arXiv (All) · Papers
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materials-science
Accurate transport properties calculations in transition metals require treating inter-orbital hybridization, which is often poorly captured by simplified single-band models. We propose an \textit{ab initio} approach combining maximally localized Wannier functions and the Allen's method to correctly
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