Publication Date:
2013-02-16
Description:
Author(s): David Waroquiers, Aurélien Lherbier, Anna Miglio, Martin Stankovski, Samuel Poncé, Micael J. T. Oliveira, Matteo Giantomassi, Gian-Marco Rignanese, and Xavier Gonze For a set of ten crystalline materials (oxides and semiconductors), we compute the electronic band structures using the Tran-Blaha [ Phys. Rev. Lett. 102 226401 (2009) ] (TB09) functional. The band widths and gaps are compared with those from the local-density approximation (LDA) functional, many-bo... [Phys. Rev. B 87, 075121] Published Fri Feb 15, 2013
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics