Journal
APPLIED PHYSICS LETTERS
Volume 96, Issue 2, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3275796
Keywords
antisite defects; copper compounds; crystal structure; impurity states; precipitation; solar cells; stoichiometry; ternary semiconductors; thermodynamics; thin film devices; vacancies (crystal); zinc compounds
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Funding
- National Sciences Foundation of China
- Basic Research Program of Shanghai
- Special Funds for Major State Basic Research
- European Union
- U.S. Department of Energy [DE-AC36-08GO28308]
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Cu2ZnSnS4 is one of the most promising quaternary absorber materials for thin-film solar cells. Examination of the thermodynamic stability of this quaternary compound reveals that the stable chemical potential region for the formation of stoichiometric compound is small. Under these conditions, the dominant defect will be p-type Cu-Zn antisite, which has an acceptor level deeper than the Cu vacancy. The dominant self-compensated defect pair in this quaternary compound is [Cu-Zn(-)+Zn-Cu(+)](0), which leads to the formation of various polytype structures of Cu2ZnSnS4. We propose that to maximize the solar cell performance, growth of Cu2ZnSnS4 under Cu-poor/Zn-rich conditions will be optimal, if the precipitation of ZnS can be avoided by kinetic barriers.
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