Self-diffusion in Zn4Sb3 from first-principles molecular dynamics

Computational Materials Science

Volumn 50, Issue 9, 2011, Pages 2663-2665

  Løvvik, Ole Martin ^a,b   Rauwel, Protima ^a   Prytz, Øystein ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b SINTEF MATERIALS AND CHEMISTRY   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION COEFFICIENTS; DIFFUSIVITIES; EXPERIMENTAL DATA; FIRST-PRINCIPLES; INTERSTITIAL SITES; LOW THERMAL CONDUCTIVITY; MOLECULAR DYNAMICS CALCULATION; POWER FACTORS; PREFACTORS; SELF-DIFFUSION; THERMOELECTRIC APPLICATION; ZN ATOMS; ZN CONTENT;

ARRHENIUS PLOTS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIFFUSION; ELECTRIC POWER FACTOR; MOLECULAR DYNAMICS; STOICHIOMETRY; THERMAL CONDUCTIVITY;

ZINC;

EID: 79957468242     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.04.015     Document Type: Article

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