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 Burton, A Walsh

Research output: Contribution to journalArticlepeer-review

48 Citations (Scopus)
177 Downloads (Pure)

Abstract

Kesterite semiconductors, particularly Cu 2ZnSnS4 (CZTS), have attracted attention for thin-film solar cells. We investigate the incorporation of Fe into CZTS to form the Cu 2(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
Pages (from-to)021912
JournalApplied Physics Letters
Volume104
Issue number2
DOIs
Publication statusPublished - Jan 2014

Fingerprint Dive into the research topics of 'From kesterite to stannite photovoltaics: Stability and band gaps of the Cu2 (Zn, Fe) SnS4 alloy'. Together they form a unique fingerprint.

Cite this