Bandgap engineering of ZnSnP 2 for high-efficiency solar cells

David O. Scanlon; Aron Walsh

doi:10.1063/1.4730375

Bandgap engineering of ZnSnP ₂ for high-efficiency solar cells

David O. Scanlon, Aron Walsh

Department of Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

96 Citations (Scopus)

Abstract

ZnSnP ₂, an absorber material for solar cells, transitions from an ordered chalcopyrite to a disordered sphalerite structure at high temperatures. We investigate the electronic structure of both phases, combining a screened hybrid density functional with the special quasi-random structure method. We predict a bandgap reduction of 0.95 eV between the ordered and fully disordered materials. Experimental reports are consistent with partial disorder. Tuning of the order parameter would lead to a family of ZnSnP ₂ phases with bandgaps ranging from 0.75 eV to 1.70 eV, thus providing graded solar cell absorbers from a single material system.

Original language	English
Article number	251911
Journal	Applied Physics Letters
Volume	100
Issue number	25
DOIs	https://doi.org/10.1063/1.4730375
Publication status	Published - 2012 Jun 18

Bibliographical note

Funding Information:
We acknowledge membership of the UK’s HPC Materials Chemistry Consortium, which is funded by EPSRC Grant EP/F067496, and the Materials Design Network. D.O.S. is grateful to the Ramsay Memorial Trust and University College London for the provision of a Ramsay Fellowship. A.W. acknowledges support from the Royal Society for a University Research Fellowship.

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

Access to Document

10.1063/1.4730375

Cite this

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abstract = "ZnSnP 2, an absorber material for solar cells, transitions from an ordered chalcopyrite to a disordered sphalerite structure at high temperatures. We investigate the electronic structure of both phases, combining a screened hybrid density functional with the special quasi-random structure method. We predict a bandgap reduction of 0.95 eV between the ordered and fully disordered materials. Experimental reports are consistent with partial disorder. Tuning of the order parameter would lead to a family of ZnSnP 2 phases with bandgaps ranging from 0.75 eV to 1.70 eV, thus providing graded solar cell absorbers from a single material system.",

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