First-principles study of elastic, structural, electronic, thermodynamical, and optical properties of Yttria (Y 2 O 3) ceramic in cubic phase

Journal of the American Ceramic Society

Volumn 96, Issue 6, 2013, Pages 1832-1840

  Badehian, Hojat Allah ^a   Salehi, Hamdolah ^a   Ghoohestani, Marzieh ^a  

^a SHAHID CHAMRAN UNIVERSITY OF AHVAZ   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

AUGMENTED PLANE WAVES; CHARGE DENSITY DISTRIBUTIONS; DENSITY FUNCTIONAL THEORIES (DFT); ELECTRONIC CALCULATION; EXCHANGE-CORRELATION POTENTIAL; FIRST-PRINCIPLES STUDY; GRADIENT APPROXIMATION; PERDEW-BURKE-ERNZERHOF;

CALCULATIONS; CHEMICAL BONDS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; REFRACTIVE INDEX; YTTRIUM OXIDE;

ELASTIC MODULI;

EID: 84878692861     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/jace.12259     Document Type: Article

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