Calculating the vibrational thermodynamic properties of bulk oxides using lattice dynamics and molecular dynamics

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 13, 2003, Pages

  Cooke, David J ^a   Parker, Stephen C ^a   Osguthorpe, David J ^a  

^a University of Bath Claverton Down   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

FERRIC OXIDE; MAGNESIUM OXIDE; OXIDE; TITANIUM DIOXIDE;

ARTICLE; CALCULATION; CHEMICAL REACTION KINETICS; ENERGY; ENTROPY; MOLECULAR DYNAMICS; MOLECULAR MODEL; TEMPERATURE DEPENDENCE; THERMODYNAMICS; VIBRATION;

EID: 0037763946     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.134306     Document Type: Article

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