Electronic structures and stability of Ag-In-Ca surfaces

Surface properties and stability of quasicrystal-related complex metallic compounds Ag-In-Ca has been studied theoretically. Optimal structures of surface is obtained by relaxing the atoms in a slab to their force-free positions by the first-principles method. It is found that, after relaxation, In...

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Veröffentlicht in:	Journal of physics. Conference series 2010-04, Vol.226 (1), p.012030
Hauptverfasser:	Nozawa, K, Ishii, Y
Format:	Artikel
Sprache:	eng
Schlagworte:	Calcium Charge distribution Electron states First principles Metal compounds Physics Silver Surface properties Surface stability
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