Journal
APPLIED PHYSICS LETTERS
Volume 100, Issue 25, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4730375
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Funding
- EPSRC [EP/F067496]
- Materials Design Network
- Ramsay Memorial Trust
- University College London
- Royal Society
- Engineering and Physical Sciences Research Council [EP/F067496/1] Funding Source: researchfish
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ZnSnP2, 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 ZnSnP2 phases with bandgaps ranging from 0.75 eV to 1.70 eV, thus providing graded solar cell absorbers from a single material system. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4730375]
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