An efficient virtual crystal approximation that can be used to treat heterovalent atoms, applied to (1-x)BiScO 3-xPbTiO 3

Journal of Physics Condensed Matter

Volumn 19, Issue 30, 2007, Pages

  Yu, Chol Jun ^a,b   Emmerich, Heike ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b KIM IL SUNG UNIVERSITY   (North Korea)

Author keywords

[No Author keywords available]

Indexed keywords

HETEROVALENT ATOMS; KLEINMAN-BYLANDER PSEUDOPOTENTIAL; PSEUDO-WAVEFUNCTIONS; VIRTUAL CRYSTAL APPROXIMATION;

ELECTRIC PROPERTIES; FERROELECTRIC MATERIALS; LATTICE CONSTANTS; PEROVSKITE; WAVE FUNCTIONS;

CRYSTAL STRUCTURE;

EID: 34547345020     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/30/306203     Document Type: Article

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