First-principles investigation of K(Ta0.56Nb0.44)O3

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 269, Issue 2-3, 2000, Pages 170-174

  Peng, Y P ^a   Wang, Y X ^a   Zhang, L ^a   Wang, C L ^a   Zhang, P L ^a   Zhong, W L ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

K(Ta0.56Nb0.44)O3; Off center displacement; Total energy

Indexed keywords

FERROELECTRICITY;

EQUILIBRIUM CONFIGURATION; FERROELECTRIC INSTABILITY; FERROELECTRIC PHASE; FIRST-PRINCIPLES INVESTIGATIONS; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; OFF-CENTER DISPLACEMENT; TOTAL ENERGY; TOTAL ENERGY CALCULATION;

CALCULATIONS;

CATION; OXYGEN; POTASSIUM;

ARTICLE; CALCULATION; CRYSTALLOGRAPHY; ELECTRIC ACTIVITY; ENERGY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; SPECTROSCOPY; STRUCTURE ANALYSIS; X RAY ANALYSIS;

EID: 0001377548     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0375-9601(00)00236-X     Document Type: Article

References (12)