Density functional theory study of the geometry, energetics, and reconstruction process of Si111 surfaces

Density functional theory study of the geometry, energetics, and reconstruction process of Si111 surfaces

We report the structures and energies from first principles density functional calculations of 12 different reconstructed (111) surfaces of silicon, including the 3x3 to 9x9 dimer-adatom-stacking fault (DAS) structures. These calculations used the Perdew-Burke-Ernzerhof generalized gradient approxim...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1992. - 21(2005), 26 vom: 20. Dez., Seite 12404-14
1. Verfasser: Solares, Santiago D (VerfasserIn)
Weitere Verfasser: Dasgupta, Siddharth, Schultz, Peter A, Kim, Yong-Hoon, Musgrave, Charles B, Goddard, William A 3rd
Format: Aufsatz
Sprache:English
Veröffentlicht: 2005
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article