Structural and electronic properties of rhodium surfaces: An ab initio approach

Surface Science

Volumn 346, Issue 1-3, 1996, Pages 300-321

  Eichler, A ^a   Hafner, J ^a   Furthmuller J ^a   Kresse, G ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Ab initio quantum chemical methods and calculations; Rhodium; Surface electronic phenomena

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; OPTIMIZATION; STRESSES; SURFACE PHENOMENA; SURFACES;

AB INITIO LOCAL DENSITY FUNCTIONAL; ANTIBONDING STATES; CONJUGATE GRADIENT TECHNIQUE; GROUND STATE; HELLMANN-FEYNMAN FORCES; LOW INDEX SURFACES;

RHODIUM;

EID: 0030086972     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)00906-X     Document Type: Article

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