New Density Functional Theory Investigations of Vanadium Silicides


New Density Functional Theory Investigations of Vanadium Silicides

Thieme, M. B.; Gemming, S.

Vanadium and silicon form several binary compounds; the most well characterized structures have
the compositions V:Si= 3:1, 5:3, 6:5, 1:2. Spin-Density-functional band-structure calculations with the
Projector Augmented Wave-method have been carried out to investigate the structural properties and the
phase stability for the experimentally known binary crystals.

  • Poster
    72. Jahrestagung der DPG und DPG Frühjahrstagung des Arbeitskreises Festkörperphysik, 25.-29.02.2008, Berlin, Germany

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Publ.-Id: 11914