Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells
File(s)
Published version
Author(s)
Type
Journal Article
Abstract
The ternary V-VI-VII chalcohalides consist of one cation and two anions. Trivalent antimony—with a distinctive 5s2 electronic configuration—can be combined with a chalcogen (e.g., S or Se) and halide (e.g., Br or I) to produce photoactive ferroelectric semiconductors with similarities to the Pb halide perovskites. We report—from relativistic quasi-particle self-consistent GW theory—that these materials have a multi-valley electronic structure with several electron and hole basins close to the band extrema. We predict ionisation potentials of 5.3–5.8 eV from first-principles for the three materials, and assess electrical contacts that will be suitable for achieving photovoltaic action from these unconventional compounds.
Date Issued
2016-03-15
Date Acceptance
2016-03-02
Citation
Applied Physics Letters, 2016, 108 (11)
ISSN
0003-6951
Publisher
AIP Publishing
Journal / Book Title
Applied Physics Letters
Volume
108
Issue
11
Copyright Statement
© 2016 AIP Publishing LLC. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Applied Physics Letters 2016 108:11 and may be found at http://dx.doi.org/10.1063/1.4943973
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000373058400020&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Science & Technology
Physical Sciences
Physics, Applied
Physics
HIGH-PERFORMANCE
HALIDE PEROVSKITES
HYBRID
CH3NH3PBI3
OXIDES
Applied Physics
09 Engineering
02 Physical Sciences
Publication Status
Published
Article Number
ARTN 112103