 The GW electronic structure of cubic RbMF 3 perovskites (M=Be, Mg, Ca, Sr, Ba)Stepan Syrotyuk () and Vira Shved The European Physical Journal B: Condensed Matter and Complex Systems, 2015, vol. 88, issue 9, 1-8 Abstract: The electronic energy band spectra of cubic RbMF 3 perovskites (M=Be, Mg, Ca, Sr, Ba) have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The Kohn-Sham single-particle states have been found in the LDA framework. Our parameters of the electron energy bands obtained in the LDA are in good agreement with the published results of other authors. The calculated GW band gaps and dielectric constants are well compared with the available experimental data. The quasiparticle energies and density of states of electrons as well as the dielectric constants were obtained in the approximation GW for the first time. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2015 Keywords: Solid State and Materials (search for similar items in EconPapers) Downloads: (external link) Related works: Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:88:y:2015:i:9:p:1-8:10.1140/epjb/e2015-60107-5 Ordering information: This journal article can be ordered from DOI: 10.1140/epjb/e2015-60107-5 Access Statistics for this article The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences |
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