First-principles study of thermal properties and phase transition between β-Ti 3O 5 and λ-Ti 3O 5

Modelling and Simulation in Materials Science and Engineering

Volumn 20, Issue 3, 2012, Pages

  Liu, Rui ^a   Shang, Jia Xiang ^a  

^a BEIHANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; HIGH TEMPERATURE; MOLAR HEAT CAPACITIES; PRESSURE RANGES; QUASI-HARMONIC DEBYE MODEL; TEMPERATURE RANGE; THERMAL EXPANSION COEFFICIENTS;

PHASE TRANSITIONS;

THERMODYNAMIC PROPERTIES;

EID: 84858790846     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/20/3/035020     Document Type: Article

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