Band offsets engineering at CdxZn1-xS/Cu2ZnSnS4 heterointerface

doi:10.1088/1674-1056/25/12/127102

Abstract

Cd_1-xZn_xS/Cu₂ZnSnS₄ (CZTS)-based thin film solar cells usually use CdS as a buffer layer, but due to its smaller band gap (2.4 eV), CdS film has been replaced with higher band gap materials. The cadmium zinc sulfide (CdZnS) ternary compound has a higher band gap than other compounds, which leads to a decrease in window absorption loss. In this paper, the band offsets at Cd_1-xZn_xS/Cu₂ZnSnS₄ (CZTS) heterointerface are calculated by the first-principles, density-functional and pseudopotential method. The band offsets at Cd_1-xZn_xS/CZTS heterointerface are tuned by controlling the composition of Zn in Cd_1-xZn_xS alloy, the calculated valence band offsets are small, which is consistent with the common-anion rule. The favorable heterointerface of type-I with a moderate barrier height (<0.3 eV) can be obtained by controlling the composition of Zn in Cd_1-xZn_xS alloy between 0.25 and 0.375.

Keywords: band offset first-principles calculation Cd_1-xZn_xS heterointerface

Received: 05 June 2016
Revised: 06 September 2016
Accepted manuscript online:

PACS:	71.20.-b	(Electron density of states and band structure of crystalline solids)
	73.40.-c	(Electronic transport in interface structures)
	71.55.Gs	(II-VI semiconductors)

Fund:

Project supported by the Special Funds of the National Natural Science Foundation of China (Grant Nos. 11547226 and 11547180).

Corresponding Authors: Wujisiguleng Bao
E-mail: baowujisgl@bhu.edu.cn

Cite this article:

Wujisiguleng Bao(包乌吉斯古楞), Sachuronggui(萨初荣贵), Fang-Yuan Qiu(仇方圆) Band offsets engineering at Cd_xZn_1-xS/Cu₂ZnSnS₄ heterointerface 2016 Chin. Phys. B 25 127102

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Band offsets engineering at CdxZn1-xS/Cu2ZnSnS4 heterointerface

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Band offsets engineering at Cd_xZn_1-xS/Cu₂ZnSnS₄ heterointerface