Atomistic and electronic structure of (X2O3) n nanoclusters; n = 1-5, X = B, Al, Ga, In and Tl

Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 467, Issue 2131, 2011, Pages 2020-2042

  Woodley, Scott M ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Atomistic structure; Density functional theory; Electronic structure; Global optimization; Nanoclusters; Sesquioxides

Indexed keywords

ACCURATE PREDICTION; ATOMISTIC STRUCTURE; CATION SIZE; DENSITY FUNCTIONALS; ENERGY LANDSCAPE; GLOBAL MINIMA; HYBRID DENSITY FUNCTIONAL; INTERATOMIC POTENTIAL; MANY-BODY; REFINED STRUCTURES; RESCALING; SESQUIOXIDES; SPECTROSCOPIC PROPERTY; STOICHIOMETRIC CLUSTERS;

BORON; BORON COMPOUNDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GLOBAL OPTIMIZATION; IONIZATION POTENTIAL; NANOCLUSTERS; STRUCTURAL OPTIMIZATION; THALLIUM;

DENSITY FUNCTIONAL THEORY;

EID: 79960014230     PISSN: 13645021     EISSN: 14712946     Source Type: Journal    
DOI: 10.1098/rspa.2011.0009     Document Type: Conference Paper

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