Surface electronic structure calculations using the MBJLDA potential: Application to Si(111)2 × 1
Author:
Affiliation:
1. School of Mathematical and Physical Sciences; The University of Newcastle; Callaghan 2308 Australia
2. Institute of Physics; Poznan University of Technology; Poznan 62-965 Poland
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23615/fullpdf
Reference41 articles.
1. Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
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3. A simple effective potential for exchange
4. Spin-polarized surface states on Br/Ge(111)-(1×1): Surface spin polarization without heavy elements
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4. Structural, electronic and nonlinear optical properties of B 3 and B 20 compounds: A first-principles investigation within the LDA, GGA and modified Becke–Johnson exchange potential plus LDA;Journal of Alloys and Compounds;2015-02
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