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Quasiparticle band structure and optical spectrum of LiBr

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Abstract

We report the quasiparticle band structure and optical absorption spectrum of bulk LiBr calculated from first-principles approaches. The quasiparticle band structure is calculated within the GW approximation. Taking the electron-hole interaction into consideration, the optical excitation is investigated by solving the Bethe-Salpeter equation for the electron-hole two-particle Green’s function. The obtained results for the band gap and optical absorption spectrum are in good agreement with experimental measurements.

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Authors and Affiliations

  1. Science Faculty, Ningbo University, Fenghua Road 818, Ningbo, 315211, P.R. China

    Yun-Feng Jiang & Neng-Ping Wang

  2. Institut für Festkörpertheorie, Universität Münster, 48149, Münster, Germany

    Michael Rohlfing

Authors
  1. Yun-Feng Jiang
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  2. Neng-Ping Wang
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  3. Michael Rohlfing
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Correspondence to Neng-Ping Wang.

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Jiang, YF., Wang, NP. & Rohlfing, M. Quasiparticle band structure and optical spectrum of LiBr. Eur. Phys. J. B 86, 406 (2013). https://doi.org/10.1140/epjb/e2013-40520-6

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  • DOI: https://doi.org/10.1140/epjb/e2013-40520-6

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