Ab initio prediction of elastic and thermal properties of cubic TiO 2

Computational Materials Science

Volumn 50, Issue 7, 2011, Pages 2142-2147

  Miloua, R ^a   Kebbab, Z ^a   Benramdane, N ^a   Khadraoui, M ^a   Chiker, F ^a  

^a UNIVERSITY OF SIDI BEL ABBES   (Algeria)

Author keywords

Cubic TiO2; Elastic constants; FPLAPW; Thermal properties

Indexed keywords

AB INITIO PREDICTION; BULK MODULUS; EXPERIMENTAL DATA; FLUORITE STRUCTURE; FPLAPW; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; GENERALIZED GRADIENT APPROXIMATIONS; HEAT CAPACITIES; LINEAR EXPANSION COEFFICIENT; PRESSURE AND TEMPERATURE; SOLAR MATERIALS; STRUCTURAL PARAMETER; THERMAL PROPERTIES; TIO; WAVE VELOCITY;

DEBYE TEMPERATURE;

ELASTIC CONSTANTS;

EID: 79954419283     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.02.020     Document Type: Article

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