Equilibrium structure of δ-Bi2O3 from first principles

Journal of Physics Condensed Matter

Volumn 21, Issue 17, 2009, Pages

  Music, Denis ^a   Konstantinidis, Stephanos ^a,b   Schneider, Jochen M ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b UNIVERSITY OF MONS   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO CALCULATIONS; BONDING ANALYSIS; CONTINUOUS DISTRIBUTION FUNCTIONS; EQUILIBRIUM STRUCTURES; FIRST PRINCIPLES; LOCAL RELAXATIONS; LONE PAIRS; O MATRICES; ORDERED CONFIGURATIONS; OXYGEN SUBLATTICE; RADIAL DISTRIBUTION FUNCTIONS; RANDOM CONFIGURATIONS; RANDOM DISTRIBUTIONS; STATISTICAL DESCRIPTIONS; VACANCY ORDERINGS;

DISTRIBUTION FUNCTIONS; OXYGEN; PHASE EQUILIBRIA; PHASE STABILITY; VACANCIES;

OXYGEN VACANCIES;

EID: 65549125619     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/17/175403     Document Type: Article

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