Evaluations of phases and vacancy formation energies in KNbO3 by first-principles calculation

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

Volumn 44, Issue 11, 2005, Pages 8048-8054

  Shigemi, Akio ^a   Wada, Takahiro ^a  

^a RYUKOKU UNIVERSITY   (Japan)

Author keywords

Band structure; Enthalpy of formation; Ferroelectric; First principles pseudopotential calculation; Knbo3; Neutral vacancy; Perovskite; Piezoelectric; Potassium niobate

Indexed keywords

BAND STRUCTURE; ENTHALPY; FERROELECTRIC MATERIALS; PEROVSKITE; PIEZOELECTRIC MATERIALS; RELAXATION PROCESSES; THERMODYNAMIC PROPERTIES;

ENTHALPY OF FORMATION; KNBO3; NEUTRAL VACANCY; POTASSIUM NIOBATE;

POTASSIUM COMPOUNDS;

EID: 31544442418     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.44.8048     Document Type: Article

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