A quantum molecular dynamics study of the cubic phase of BaTiO3 and BaZrO3

Solid State Ionics

Volumn 97, Issue 1-4, 1997, Pages 39-44

  Munch W ^a   Seifert, G ^b   Kreuer, K D ^a   Maier, J ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Perovskite; Quantum molecular dynamics

Indexed keywords

ACTIVATION ENERGY; BARIUM COMPOUNDS; BARIUM TITANATE; CALCULATIONS; COMPUTER SIMULATION; DIFFUSION; LATTICE VIBRATIONS; MOLECULAR DYNAMICS; OXIDES; PHASE COMPOSITION; PROTONS; TRANSPORT PROPERTIES;

BARIUM ZIRCONATE; OXIDE ION SEPARATION; PROTON MOBILITY; QUANTUM MOLECULAR DYNAMICS;

QUANTUM THEORY;

EID: 0141524163     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0167-2738(97)00085-4     Document Type: Article

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