Journal
SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS SYMPOSIUM 2013, PTS A & B
Volume 1591, Issue -, Pages 1361-1363Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4872959
Keywords
Super-ionic conductor; diffusion; layered structure
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An inter-atomic potential for Na2Ni2TeO6 in the Parrinello-Rahman-Vashishta (PRV) model is parameterized empirically. The potential reproduces variety of structural and transport properties of that material in good agreement with recent experimental results. The study provides fresh insights on the migration channels and mechanism of Na+ in the system.
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