Quasiparticle and optical properties of BeH2
2007 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 19, no 3, 036223- p.Article in journal (Refereed) Published
The quasiparticle and optical properties of BeH2 are computed by means of the all-electron GW approximation in conjunction with the projector augmented wave (PAW) method. The GW approximation, through the calculation of the self-energy and the optical dielectric function in the random phase approximation, shows that BeH2 is a large band gap insulator. The results are discussed in view of future experiments.
Place, publisher, year, edition, pages
2007. Vol. 19, no 3, 036223- p.
IdentifiersURN: urn:nbn:se:uu:diva-96896DOI: 10.1088/0953-8984/19/3/036223ISI: 000243724300030OAI: oai:DiVA.org:uu-96896DiVA: diva2:171626