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Title: Atomistic models of Cu diffusion in CuInSe 2 under variations in composition

Abstract

Here we construct an analytic model for the composition dependence of the vacancy-mediated Cu diffusion coefficient in undoped CuInSe 2 using parameters from density functional theory. The applicability of this model is supported numerically with kinetic lattice Monte Carlo and Onsager transport tensors. We discuss how this model relates to experimental measurements of Cu diffusion, arguing that our results can account for significant contributions to the bulk diffusion of Cu tracers in non-stoichiometric CuInSe 2.

Authors:
 [1];  [2]
  1. Univ. of Washington, Seattle, WA (United States). Dept. of Physics
  2. Univ. of Washington, Seattle, WA (United States). Dept. of Physics, and Dept. of Electrical Engineering
Publication Date:
Research Org.:
Stanford Univ., CA (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1540156
Alternate Identifier(s):
OSTI ID: 1427324
Grant/Contract Number:  
EE0004946
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 123; Journal Issue: 11; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; Physics

Citation Formats

Sommer, David E., and Dunham, Scott T. Atomistic models of Cu diffusion in CuInSe2 under variations in composition. United States: N. p., 2018. Web. doi:10.1063/1.5017475.
Sommer, David E., & Dunham, Scott T. Atomistic models of Cu diffusion in CuInSe2 under variations in composition. United States. doi:10.1063/1.5017475.
Sommer, David E., and Dunham, Scott T. Tue . "Atomistic models of Cu diffusion in CuInSe2 under variations in composition". United States. doi:10.1063/1.5017475. https://www.osti.gov/servlets/purl/1540156.
@article{osti_1540156,
title = {Atomistic models of Cu diffusion in CuInSe2 under variations in composition},
author = {Sommer, David E. and Dunham, Scott T.},
abstractNote = {Here we construct an analytic model for the composition dependence of the vacancy-mediated Cu diffusion coefficient in undoped CuInSe2 using parameters from density functional theory. The applicability of this model is supported numerically with kinetic lattice Monte Carlo and Onsager transport tensors. We discuss how this model relates to experimental measurements of Cu diffusion, arguing that our results can account for significant contributions to the bulk diffusion of Cu tracers in non-stoichiometric CuInSe2.},
doi = {10.1063/1.5017475},
journal = {Journal of Applied Physics},
number = 11,
volume = 123,
place = {United States},
year = {2018},
month = {3}
}

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