Characterization of the high-pressure structures and phase transformations in SnO2. A density functional theory study

Journal of Physical Chemistry B

Volumn 111, Issue 23, 2007, Pages 6479-6485

  Gracia, L ^a   Beltran A ^a   Andres J ^a  

^a UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; EQUATIONS OF STATE; MOLECULAR STRUCTURE; PHASE TRANSITIONS; PYRITES;

GEOMETRY OPTIMIZATIONS; STRUCTURAL TRANSITIONS; TOTAL ENERGY CALCULATIONS; TRANSITION PRESSURE;

TIN DIOXIDE;

EID: 34347353157     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp067443v     Document Type: Article

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