Ab initio energetic study of oxide ceramics with rare-earth elements

Rare Metals

Volumn 25, Issue 5, 2006, Pages 549-555

  Wu, Bo ^a   Zinkevich, Matvei ^a   Wang, Chong ^a   Aldinger, Fritz ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

Ab initio calculation; Enthalpy of formation; Lattice stability; Oxide ceramics; Rare earth

Indexed keywords

CALCULATIONS; DISCRETE FOURIER TRANSFORMS; ENTHALPY; OXIDES; PROBABILITY DENSITY FUNCTION; RARE EARTH ELEMENTS; STABILITY; THERMODYNAMIC PROPERTIES;

AB INITIO CALCULATION; LATTICE STABILITY; OXIDE CERAMICS; PEROVSKITES; POLYMORPHIC STRUCTURES; PROJECTOR AUGMENTED WAVE METHOD (PAW);

CERAMIC MATERIALS;

EID: 33751101597     PISSN: 10010521     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1001-0521(06)60097-1     Document Type: Article

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