A density functional tight-binding approach for modelling Ge and GeH structures

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Bibliographic Details
Published inJournal of physics. Condensed matter Vol. 8; no. 37; pp. 6873 - 6888
Main Authors Sitch, P K, Frauenheim, Th, Jones, R
Format Journal Article
LanguageEnglish
Published Bristol IOP Publishing 09.09.1996
Institute of Physics
Subjects
Condensed matter: structure, mechanical and thermal properties
Elemental solids
Exact sciences and technology
Physics
Solid surfaces and solid-solid interfaces
Structure of solids and liquids; crystallography
Structure of specific crystalline solids
Surface structure and topography
Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)
Semiconductor materials
Theoretical study
Cluster model
Structural models
Surface structure
Surface reconstruction
Tight binding approximation
Nonmetals
Hydrogen additions
Density functional method
Germanium
Minimum energy
LCAO method
Crystal structure
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ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/8/37/009