Crystallographic phase stabilities and electronic structures in AgNbO3 by first-principles calculation

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 1105-1114

  Shigemi, Akio ^a   Wada, Takahiro ^a  

^a RYUKOKU UNIVERSITY   (Japan)

Author keywords

AgNbO3; Electronic structure; First principles pseudopotential calculation; Formation enthalpy; Phase stability

Indexed keywords

ELECTRIC CONDUCTIVITY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENTHALPY; NIOBIUM; NIOBIUM COMPOUNDS; OXIDE MINERALS; PEROVSKITE; SILVER; SODIUM; SOLID STATE PHYSICS;

A PLANES; AGNBO3; ALL PHASES; BONDING ORBITALS; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES PSEUDOPOTENTIAL CALCULATION; FORMATION ENTHALPIES; FORMATION ENTHALPY; GRADIENT APPROXIMATIONS; LOW TEMPERATURES; NIOBATE; PEROVSKITE STRUCTURES; PSEUDOPOTENTIAL METHODS; SODIUM NIOBATE;

PHASE STABILITY;

EID: 56749173334     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802235698     Document Type: Article

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