Ab initio study of the elastic properties of single and polycrystal TiO2, ZrO2 and HfO2 in the cotunnite structure

Journal of Physics Condensed Matter

Volumn 21, Issue 1, 2009, Pages

  Caravaca, M A ^a   Mio J C ^a   Perez V J ^a   Casali, R A ^a   Ponce, C A ^a  

^a UNIVERSIDAD NACIONAL DEL NORDESTE   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDIES; BIRCH-MURNAGHAN EQUATIONS; BULK MODULUS; DENSITY FUNCTIONAL; DUCTILE BEHAVIORS; ELASTIC PROPERTIES; EXPERIMENTAL VALUES; HIGH-PRESSURE PHASE; LINEAR REGIMES; LONGITUDINAL ELASTIC WAVES; NORMAL PHASE; POISSON COEFFICIENTS; POLY-CRYSTALLINE; PRESSURE DERIVATIVES; PROPAGATION SPEED; PSEUDOPOTENTIALS; SHEAR MODULUS; STRESS TENSORS; STRESS-STRAIN RELATIONSHIPS; THIRD ORDERS; TITANIA; TOTAL ENERGIES; UNIT-CELL VOLUMES;

ACOUSTIC PROPERTIES; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTIC WAVES; ELASTICITY; EQUATIONS OF STATE; HAFNIUM COMPOUNDS; HYDRAULICS; HYDRODYNAMICS; HYDROSTATIC PRESSURE; OXIDE MINERALS; STRESS-STRAIN CURVES; TITANIUM DIOXIDE; TITANIUM OXIDES; ZIRCONIA; ZIRCONIUM ALLOYS;

ELASTIC CONSTANTS;

EID: 63849271745     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/1/015501     Document Type: Article

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