Reconstruction and energetics for surfaces of silicon, diamond and β-SiC

A semi-empirical potential energy function comprising two- and three-body interactions was employed in association with a Monte Carlo procedure to calculate the energies and structures for Si(100), Si(111), C diamond(100), C diamond(111) and various index planes of β-SiC surfaces. Calculated results...

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Bibliographic Details
Published inSurface science Vol. 164; no. 2; pp. 341 - 352
Main Authors Takai, T., Halicioǧlu, T., Tiller, W.A.
Format Journal Article
LanguageEnglish
Published Lausanne Elsevier B.V 01.12.1985
Amsterdam Elsevier Science
New York, NY
Subjects
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Physics
Solid surfaces and solid-solid interfaces
Surface structure and topography
Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)
Non metal
Monte Carlo method
Surface reconstruction
Silicon Carbides
Theoretical study
Diamond
Potential function
Silicon
Surface energy
Surface structure
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Summary:A semi-empirical potential energy function comprising two- and three-body interactions was employed in association with a Monte Carlo procedure to calculate the energies and structures for Si(100), Si(111), C diamond(100), C diamond(111) and various index planes of β-SiC surfaces. Calculated results for adatom and vacancy free surfaces, were found to be in fair agreement with experiments.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0039-6028
1879-2758
DOI:10.1016/0039-6028(85)90751-4