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Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition

Andreas Lücke1, Uwe Gerstmann1, Thomas D Kühne2

  • 1Lehrstuhl für Theoretische Materialphysik, Universität Paderborn, Paderborn, 33095, Germany.

Journal of Computational Chemistry
|July 19, 2017
PubMed

Keywords:
bondingcrystal orbital Hamilton populationdensity functional theoryindium nanowiresphase transition

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