Cohesive Properties of Ge, Si, and Diamond Calculated with Minimum Basis Sets

Ab initio calculations are presented of the cohesive properties of Ge, Si, and diamond. Electron‐electron interactions are treated within the local density functional approximation and electronion interactions are described by norm‐conserving pseudopotentials. The wave functions are expanded in loca...

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Veröffentlicht in:	Physica status solidi. B. Basic research 1984-12, Vol.126 (2), p.511-515
Hauptverfasser:	Holland, B., Greenside, H. S., Schlüter, M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Crystal binding cohesive energy Crystalline state (including molecular motions in solids) Exact sciences and technology Physics Structure of solids and liquids crystallography
Online-Zugang:	Volltext
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