Perturbation approach to \textit{ab initio} effective mass calculations

DOI10.1016/J.CPC.2020.107648arXiv2007.03816MaRDI QIDQ6158840

Xavier Rocquefelte, Peter Blaha, Oleg Rubel, Fabien Tran

Publication date: 31 May 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2007.03816

zbMATH Keywords

perturbation theorydensity functional theorysemiconductorseffective massoptical matrix elements

Mathematics Subject Classification ID

Statistical mechanics of semiconductors (82D37) Computational density functional analysis in statistical mechanics (82M36)

Cites Work

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• \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions
• Boltztrap. A code for calculating band-structure dependent quantities
• Cyclotron Resonances, Magnetoresistance, and Brillouin Zones in Semiconductors

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