physica status solidi (b)

Cover image for Vol. 252 Issue 1

Editor: Stefan Hildebrandt (Editor-in-Chief), Sabine Bahrs (Deputy Editor)

Online ISSN: 1521-3951

Associated Title(s): physica status solidi (a), physica status solidi (c), physica status solidi (RRL) - Rapid Research Letters

245_05b/2008Back Cover: phys. stat. sol. (b) 245/5

The authors of this issue's Editor's Choice (pp. 929–945) present the combination of quasiparticle energy calculations in the G0W0 approximation with DFT calculations in the exact-exchange (OEPx(cLDA)) approach. Using OEPx(cLDA) instead of LDA or GGA removes the inherent self-interaction of the latter from the ground state calculation. For ScN (the illustration on the back cover shows the charge density difference (OEPx(cLDA)–LDA)) this gives rise to a more attractive exchange potential and a higher charge density around the nitrogen sites. OEPx(cLDA) thus constitutes a better starting point for band structure calculations in first order perturbation theory using the G0W0 approximation. Combined, OEPx(cLDA) and G0W0 provide a description of the electronic structure that overcomes the deficiencies of LDA based approaches. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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