Ab-initio calculations of interactions between Cu adatoms on Cu(1 1 0): Sensitivity of strong multi-site interactions to adatom relaxations

Surface Science

Volumn 603, Issue 16, 2009, Pages 2387-2392

  Sathiyanarayanan, Rajesh ^a   Einstein, T L ^a  

^a Bldg 142   (United States)

Author keywords

Adatom relaxations; Copper; Density functional calculations; Lattice gas models; Low index single crystal surfaces; Surface diffusion

Indexed keywords

AB INITIO CALCULATIONS; COMPLETE LATTICES; CU(1 1 0); DENSITY-FUNCTIONAL CALCULATIONS; INTERACTION ENERGIES; LATTICE GAS MODEL; LATTICE-GAS; LATTICE-GAS MODELS; LOW-INDEX SINGLE CRYSTAL SURFACES; MODEL PARAMETERIZATION; MULTI-SITE; NEAREST-NEIGHBORS; PAIR INTERACTIONS; PARAMETERIZED;

ADATOMS; DENSITY FUNCTIONAL THEORY; DIFFUSION BARRIERS; DIFFUSION IN SOLIDS; GAS DYNAMICS; GASES; SURFACE DIFFUSION; WAVE FUNCTIONS;

SINGLE CRYSTAL SURFACES;

EID: 68249123498     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.05.012     Document Type: Article

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