Atomic and electronic structure of diamond (111) surfaces: III. Electronic structure of the clean and hydrogen-covered three-dangling-bond surfaces

Surface Science

Volumn 384, Issue 1-3, 1997, Pages 94-105

  Kern, G ^a   Hafner, J ^a   Kresse, G ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Ab initio quantum chemical methods and calculations; Adatoms; Carbon; Density functional calculations; Diamond; Low index single crystal surfaces; Photoelectron emission; Single crystal surfaces; Surface electronic phenomena

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; CRYSTAL ATOMIC STRUCTURE; ELECTRON EMISSION; ELECTRONIC STRUCTURE; HYDROGEN; HYDROGENATION; PHOTOELECTRON SPECTROSCOPY; PHOTOEMISSION; QUANTUM THEORY; SINGLE CRYSTALS; SURFACE STRUCTURE;

ADATOMS; DENSITY FUNCTIONAL THEORY (DFT); LOW INDEX SINGLE CRYSTAL SURFACES;

DIAMONDS;

EID: 0031192185     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00168-4     Document Type: Article

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