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
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.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2013
