Monte Carlo study of tracer and chemical diffusion of oxygen in YBa sub 2 Cu sub 3 O sub 6+2 c

Journal Article · Fri Jun 01 04:00:00 EDT 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.41.11159· OSTI ID:7155140

Salomons, E; de Fontaine, D ^[1]

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1. Department of Materials Science and Mineral Engineering, University of California, Berkeley, Berkeley, California 94720 (US) Lawrence Berkeley Laboratory, Berkeley, California 94720

Tracer and chemical diffusion of oxygen in YBa{sub 2}Cu{sub 3}O{sub 6+2{ital c}} has been studied by Monte Carlo simulations of an asymmetric next-nearest-neighbor Ising model. Striking differences between tracer and chemical diffusion are found and explained by the effect of the thermodynamic factor, which is determined also by Monte Carlo simulation. Especially for {ital c}=0.5, the effect of the thermodynamic factor is large. It is also found that tracer diffusion in the ordered orthorhombic phase of YBa{sub 2}Cu{sub 3}O{sub 6+2{ital c}} is strongly anisotropic, which is explained in terms of different diffusion mechanisms.

• OSTI ID: 7155140
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 41:16; ISSN 0163-1829; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
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ATOM TRANSPORT
BARIUM COMPOUNDS
BARIUM OXIDES
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
CRYSTAL MODELS
DIFFUSION
ELEMENTS
ISING MODEL
MATHEMATICAL MODELS
MONTE CARLO METHOD
NEUTRAL-PARTICLE TRANSPORT
NONMETALS
ORDER-DISORDER TRANSFORMATIONS
OXIDES
OXYGEN
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
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THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
YTTRIUM COMPOUNDS
YTTRIUM OXIDES