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Stable single-phase Zn-rich Cu2ZnSnSe4 through In doping

Authors: S. Hartnauer, S. Körbel, M.A.L. Marques, S. Botti, P. Pistor, and R. Scheer

Ref.: APL Mater. 4, 070701 (2016)

Abstract: Alloying in the system Cu2ZnSnSe4–CuInSe2-ZnSe (CZTISe) is investigated experimentally and theoretically. The goal is to distinguish single-phase and multi-phase regions within the Cu2ZnSnSe4-2CuInSe2-4ZnSe pseudo-ternary phase diagram. CZTISe thin films are prepared by co-evaporation of the chemical elements and are investigated in real-time during growth using in situ angle dispersive X-ray diffraction. The focus is mainly on thin films along the Cu2ZnSnSe4–2CuInSe2 isopleth with small ZnSe addition as well as on films along the Cu2ZnSnSe4-4ZnSe isopleth with small CuInSe2 addition. For both cases, ab initio calculations with density-functional theory are performed to estimate the stability of the alloy with respect to the formation of secondary phases. Both in experiment and calculation, we find a surprisingly large single-phase region in the Cu2ZnSnSe4 corner of the pseudo-ternary phase diagram slightly off the Cu2ZnSnSe4-4ZnSe isopleth. This may help avoiding secondary phase formation under Zn-rich conditions and open up new possibilities for the application of CZTISe thin films in solar cells.

Citations: 7 (Google scholar)

DOI: 10.1063/1.4953435

Bibtex:

@article{Hartnauer_2016,
	doi = {10.1063/1.4953435},
	url = {https://doi.org/10.1063%2F1.4953435},
	year = 2016,
	month = {jul},
	publisher = {{AIP} Publishing},
	volume = {4},
	number = {7},
	pages = {070701},
	author = {Stefan Hartnauer and Sabine Körbel and Miguel A. L. Marques and Silvana Botti and Paul Pistor and Roland Scheer},
	title = {Research Update: Stable single-phase Zn-rich Cu2ZnSnSe4 through In doping},
	journal = {{APL} Materials}
}