Thermochemical ranking and dynamic stability of TeO2 polymorphs from ab initio theory

Crystal Growth and Design

Volumn 14, Issue 2, 2014, Pages 871-878

  Deringer, Volker L ^a   Stoffel, Ralf P ^a   Dronskowski, Richard ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL ORBITAL HAMILTON POPULATIONS; DISPERSION CORRECTION; FINITE TEMPERATURES; REALISTIC MATERIALS; TELLURIUM DIOXIDE; TEMPERATURE-DEPENDENT PROPERTIES; THERMOCHEMICAL ANALYSIS; THERMODYNAMIC STATE;

CHEMICAL BONDS; TELLURIUM COMPOUNDS;

DISPERSIONS;

EID: 84893666720     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg401822g     Document Type: Article

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