Novel high pressure phases of β-AlH3: A density-functional study

Chemistry of Materials

Volumn 20, Issue 19, 2008, Pages 5997-6002

  Vajeeston, P ^a   Ravindran, P ^a   Fjellvag H ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ELEMENTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; PHASE TRANSITIONS; POLYMORPHISM; STRUCTURAL DESIGN;

A DENSITIES; BAND GAPS; GRADIENT APPROXIMATIONS; HIGH PRESSURES; METALLIC BEHAVIORS; NON-METALS; OPTIMIZATION CALCULATIONS; OPTIMIZED GEOMETRIES; STRUCTURAL ARRANGEMENTS; TOTAL ENERGIES; TRANSITION PRESSURES;

STRUCTURAL OPTIMIZATION;

EID: 54849430724     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm800282b     Document Type: Article

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