Theoretical modelling of steps and surface oxidation on CaF2(111)

Surface Science

Volumn 402-404, Issue , 1998, Pages 687-691

  Puchina, A V ^a   Puchin, V E ^a   Huisinga, M ^a   Bennewitz, R ^a   Reichling, M ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Ab initio quantum chemical methods and calculations; Calcium difluoride; Low index single crystal surfaces; Oxidation; Stepped single crystal surfaces; Surface electronic phenomena (work function, surface potential, surface states etc.); Surface energy

Indexed keywords

BAND STRUCTURE; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; MATHEMATICAL MODELS; MORPHOLOGY; OXIDATION; QUANTUM THEORY; SINGLE CRYSTALS; SURFACE ROUGHNESS; SURFACE STRUCTURE;

CALCIUM DIFLUORIDE; HARTREE FOCK METHOD; STEPPED SURFACES;

CALCIUM COMPOUNDS;

EID: 0031631645     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00950-3     Document Type: Article

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