Strain effects on the electronic structure of ZnSnP2 via modified Becke-Johnson exchange potential

Xu, Y; Ao, ZM; Zou, DF; Nie, GZ; Sheng, W; Yuan, DW

Strain effects on the electronic structure of ZnSnP2 via modified Becke-Johnson exchange potential

Xu, Y Ao, ZM Zou, DF Nie, GZ Sheng, W Yuan, DW

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Publisher:: Elsevier
Publication Type:: Journal Article
Citation:: Physics Letters, Section A: General, Atomic and Solid State Physics, 2014
Issue Date:: 2014-09-17

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Field	Value	Language
dc.contributor.author	Xu, Y	en_US
dc.contributor.author	Ao, ZM	en_US
dc.contributor.author	Zou, DF	en_US
dc.contributor.author	Nie, GZ	en_US
dc.contributor.author	Sheng, W	en_US
dc.contributor.author	Yuan, DW	en_US
dc.date.issued	2014-09-17	en_US
dc.identifier.citation	Physics Letters, Section A: General, Atomic and Solid State Physics, 2014	en_US
dc.identifier.issn	0375-9601	en_US
dc.identifier.uri	http://hdl.handle.net/10453/41245
dc.description.abstract	ZnSnP2 is a promising photovoltaic absorber material with a direct band gap of 1.68 eV, further reducing the band gap of ZnSnP2 that can achieve higher photovoltaic conversion efficiency. To achieve this target, the influence of biaxial in-plane strain (±3%) on the band gap, hole effective mass and optical properties of ZnSnP2 were investigated by first-principles calculations via Modified Becke-Johnson exchange potential. The results indicate that the biaxial tensile strain can reduce the band gap of ZnSnP2 from 1.3 eV to 1.0 eV and enhance the absorption of visible light of c-axis direction, while the biaxial compress strain increases the band gap of ZnSnP2 slightly. This research provides an alternative approach to tune the band gap of ZnSnP2 by strains. The variation of the band gap under different strains is determined by the highest-energy valance band state, and it can be explained by the redistribution of electrons under different strain.	en_US
dc.language	eng	en_US
dc.publisher	Elsevier	en_US
dc.relation.ispartof	Physics Letters, Section A: General, Atomic and Solid State Physics	en_US
dc.relation.isbasedon	10.1016/j.physleta.2014.11.038	en_US
dc.subject.classification	Fluids & Plasmas	en_US
dc.title	Strain effects on the electronic structure of ZnSnP2 via modified Becke-Johnson exchange potential	en_US
dc.type	Journal Article
utslib.for	0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney/Strength - CCET - Centre for Clean Energy Technology
utslib.copyright.status	closed_access
pubs.publication-status	Accepted	en_US

Abstract:

ZnSnP2 is a promising photovoltaic absorber material with a direct band gap of 1.68 eV, further reducing the band gap of ZnSnP2 that can achieve higher photovoltaic conversion efficiency. To achieve this target, the influence of biaxial in-plane strain (±3%) on the band gap, hole effective mass and optical properties of ZnSnP2 were investigated by first-principles calculations via Modified Becke-Johnson exchange potential. The results indicate that the biaxial tensile strain can reduce the band gap of ZnSnP2 from 1.3 eV to 1.0 eV and enhance the absorption of visible light of c-axis direction, while the biaxial compress strain increases the band gap of ZnSnP2 slightly. This research provides an alternative approach to tune the band gap of ZnSnP2 by strains. The variation of the band gap under different strains is determined by the highest-energy valance band state, and it can be explained by the redistribution of electrons under different strain.

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http://hdl.handle.net/10453/41245