From kesterite to stannite photovoltaics

Stability and band gaps of the Cu2(Zn,Fe)SnS4 alloy

Taizo Shibuya, Yosuke Goto, Yoichi Kamihara, Masanori Matoba, Kenji Yasuoka, Lee A. Burton, Aron Walsh

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

Kesterite semiconductors, particularly Cu2ZnSnS4 (CZTS), have attracted attention for thin-film solar cells. We investigate the incorporation of Fe into CZTS to form the Cu2(Zn,Fe)SnS4 solid-solution for tuning the lattice spacing and band gap. First-principles calculations confirm a phase transition from kesterite (Zn-rich) to stannite (Fe-rich) at Fe/Zn ∼ 0.4. The exothermic enthalpy of mixing is consistent with the high solubility of Fe in the lattice. There is a linear band-gap bowing for each phase, which results in a blue-shift of photo-absorption for Fe-rich alloys due to the confinement of the conduction states. We propose compositions optimal for Si tandem cells.

Original languageEnglish
Article number021912
JournalApplied Physics Letters
Volume104
Issue number2
DOIs
Publication statusPublished - 2014 Jan 13

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photoabsorption
blue shift
solid solutions
solubility
solar cells
enthalpy
tuning
spacing
conduction
thin films
cells

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

Shibuya, Taizo ; Goto, Yosuke ; Kamihara, Yoichi ; Matoba, Masanori ; Yasuoka, Kenji ; Burton, Lee A. ; Walsh, Aron. / From kesterite to stannite photovoltaics : Stability and band gaps of the Cu2(Zn,Fe)SnS4 alloy. In: Applied Physics Letters. 2014 ; Vol. 104, No. 2.
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From kesterite to stannite photovoltaics : Stability and band gaps of the Cu2(Zn,Fe)SnS4 alloy. / Shibuya, Taizo; Goto, Yosuke; Kamihara, Yoichi; Matoba, Masanori; Yasuoka, Kenji; Burton, Lee A.; Walsh, Aron.

In: Applied Physics Letters, Vol. 104, No. 2, 021912, 13.01.2014.

Research output: Contribution to journalArticle

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T1 - From kesterite to stannite photovoltaics

T2 - Stability and band gaps of the Cu2(Zn,Fe)SnS4 alloy

AU - Shibuya, Taizo

AU - Goto, Yosuke

AU - Kamihara, Yoichi

AU - Matoba, Masanori

AU - Yasuoka, Kenji

AU - Burton, Lee A.

AU - Walsh, Aron

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Shibuya T, Goto Y, Kamihara Y, Matoba M, Yasuoka K, Burton LA et al. From kesterite to stannite photovoltaics: Stability and band gaps of the Cu2(Zn,Fe)SnS4 alloy. Applied Physics Letters. 2014 Jan 13;104(2). 021912. https://doi.org/10.1063/1.4862030