Structure of Si(1 1 4) determined by global optimization methods

Surface Science

Volumn 578, Issue 1-3, 2005, Pages 183-195

  Chuang, F C ^a   Ciobanu, C V ^b   Predescu, C ^c   Wang, C Z ^a   Ho, K M ^a  

^a IOWA STATE UNIVERSITY   (United States)

^b Department of Geology and Geological Engineering   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Density functional theory calculations; Genetic algorithm; Parallel tempering Monte Carlo methods; Semi empirical models and model calculations; Silicon; Surface energy; Surface relaxation and reconstruction

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; CRYSTAL ORIENTATION; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; GENETIC ALGORITHMS; GLOBAL OPTIMIZATION; INTERFACIAL ENERGY; LOW ENERGY ELECTRON DIFFRACTION; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY; STRUCTURAL OPTIMIZATION;

DENSITY FUNCTIONAL THEORY CALCULATIONS; PARALLEL-TEMPERING MONTE CARLO METHODS; SEMI-EMPIRICAL MODELS AND MODEL CALCULATIONS; SURFACE RELAXATION AND RECONSTRUCTION;

SILICON;

EID: 14144251933     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.01.036     Document Type: Article

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