Band widths and gaps from the Tran-Blaha functional : Comparison with many-body perturbation theory
Band widths and gaps from the Tran-Blaha functional : Comparison with many-body perturbation theory
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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For a set of ten crystalline materials (oxides and semiconductors), we compute the electronic band structures using the Tran-Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TB09) functional. The band widths and gaps are compared with those from the local-density approximation (LDA) functional, many-body perturbation theory (MBPT), and experiments. At...
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Band widths and gaps from the Tran-Blaha functional : Comparison with many-body perturbation theory
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TN_cdi_proquest_journals_2085295229
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2085295229
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2331-8422
DOI
10.48550/arxiv.1302.6756
