Theoretical study of the gap evolution of In2X3 (X = O, S, Se, Te) with lattice compression

Authors
Robles, R Vega, A Mokrani, A
Citation
R. Robles et al., Theoretical study of the gap evolution of In2X3 (X = O, S, Se, Te) with lattice compression, OPT MATER, 17(4), 2001, pp. 497-499
Citations number
11
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
OPTICAL MATERIALS
ISSN journal
09253467 → ACNP
Volume
17
Issue
4
Year of publication
2001
Pages
497 - 499
Database
ISI
SICI code
0925-3467(200109)17:4<497:TSOTGE>2.0.ZU;2-O
Abstract
We report a systematic study of the electronic structure of In2X3 (X = O, S , Se, Te) semi-conductors using the ab initio tight-binding linear muffin-t in orbital (TB-LMTO) method. Taking into account the experimental structure of each compound we have determined the gap evolution under lattice compre ssion in the whole series. We have found that the compression of the lattic e produces an enhancement of the energy gap. This could be driven in some c ases by doping with shallow impurities. (C) 2001 Elsevier Science B.V. All rights reserved.