Eur. Phys. J. B (2013) 86: 406
https://doi.org/10.1140/epjb/e2013-40520-6

Regular Article

Quasiparticle band structure and optical spectrum of LiBr

¹ Science Faculty, Ningbo University, Fenghua Road 818, Ningbo 315211, P.R. China
² Institut für Festkörpertheorie, Universität Münster, 48149 Münster, Germany

^a e-mail: wangnengping@nbu.edu.cn

Received: 26 May 2013
Received in final form: 29 July 2013
Published online: 1 October 2013

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.