On computer simulation methods for calculating 'exact' surface formation free energies of steps and (1 × 2) missing row reconstructions

Surface Science

Volumn 560, Issue 1-3, 2004, Pages 226-234

  Grochola, Gregory ^a   Russo, Salvy P ^a   Snook, Ian K ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

Computer simulations; Surface energy; Surface relaxation and reconstruction

Indexed keywords

COMPUTER SIMULATION; CRYSTAL DEFECTS; CRYSTAL GROWTH; FREE ENERGY; INTERFACIAL ENERGY; PHASE TRANSITIONS; STATISTICAL METHODS; SURFACE ROUGHNESS;

ADATOMS; EMBEDDED ATOM METHOD; SURFACE RELAXATION AND RECONSTRUCTION; THERMODYNAMIC INTEGRATION;

SURFACE PROPERTIES;

EID: 2942582474     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2004.03.070     Document Type: Article

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