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Title: Possible Approach to Overcome the Doping Asymmetry in Wideband Gap Semiconductors

Abstract

No abstract prepared.

Authors:
; ; ;
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
908018
DOE Contract Number:
AC36-99-GO10337
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters; Journal Volume: 98; Journal Issue: 13, 30 March 2007; Related Information: Article No. 135506
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ASYMMETRY; SOLAR ENERGY; PHYSICS; Solar Energy - Photovoltaics; Basic Sciences

Citation Formats

Yan, Y., Li, J., Wei, S.-H., and Al-Jassim, M. M. Possible Approach to Overcome the Doping Asymmetry in Wideband Gap Semiconductors. United States: N. p., 2007. Web. doi:10.1103/PhysRevLett.98.135506.
Yan, Y., Li, J., Wei, S.-H., & Al-Jassim, M. M. Possible Approach to Overcome the Doping Asymmetry in Wideband Gap Semiconductors. United States. doi:10.1103/PhysRevLett.98.135506.
Yan, Y., Li, J., Wei, S.-H., and Al-Jassim, M. M. Fri . "Possible Approach to Overcome the Doping Asymmetry in Wideband Gap Semiconductors". United States. doi:10.1103/PhysRevLett.98.135506.
@article{osti_908018,
title = {Possible Approach to Overcome the Doping Asymmetry in Wideband Gap Semiconductors},
author = {Yan, Y. and Li, J. and Wei, S.-H. and Al-Jassim, M. M.},
abstractNote = {No abstract prepared.},
doi = {10.1103/PhysRevLett.98.135506},
journal = {Physical Review Letters},
number = 13, 30 March 2007,
volume = 98,
place = {United States},
year = {Fri Mar 30 00:00:00 EDT 2007},
month = {Fri Mar 30 00:00:00 EDT 2007}
}
  • We employ an extension of Harrison's theory at the tight binding level of approximation to develop a predictive approach for band gap engineering involving isovalent doping of wide band gap semiconductors. Our results indicate that reasonably accurate predictions can be achieved at qualitative as well as quantitative levels. The predictive results were checked against ab initio ones obtained at the level of DFT/SGGA + U approximation. The minor disagreements between predicted and ab initio results can be attributed to the electronic processes not incorporated in Harrison's theory. These include processes such as the conduction band anticrossing [Shan et al., Phys. Rev. Lett.more » 82, 1221 (1999); Walukiewicz et al., Phys. Rev. Lett. 85, 1552 (2000)] and valence band anticrossing [Alberi et al., Phys. Rev. B 77, 073202 (2008); Appl. Phys. Lett. 92, 162105 (2008); Appl. Phys. Lett. 91, 051909 (2007); Phys. Rev. B 75, 045203 (2007)], as well as the multiorbital rehybridization. Another cause of disagreement between the results of our predictive approach and the ab initio ones is shown to be the result of the shift of Fermi energy within the impurity band formed at the edge of the valence band maximum due to rehybridization. The validity of our approach is demonstrated with example applications for the systems GaN{sub 1−x}Sb{sub x}, GaP{sub 1−x}Sb{sub x}, AlSb{sub 1−x}P{sub x}, AlP{sub 1−x}Sb{sub x}, and InP{sub 1−x}Sb{sub x}.« less
  • Quaternary systems illustrated by (Ga,In)(As,Sb) manifest a huge configurational space, offering in principle the possibility of designing structures that are lattice matched to a given substrate and have given electronic properties (e.g., band gap) at more than one composition. Such specific configurations were however, hitherto, unidentified. We show here that using a genetic-algorithm search with a pseudopotential Inverse-band-structure (IBS) approach it is possible to identify those configurations that are naturally lattice matching (to GaSb) and have a specific band gap (310 meV) at more than one composition. This is done by deviating from randomness, allowing the IBS to find amore » partial atomic ordering. This illustrates multitarget design of the electronic structure of multinary systems.« less
  • No abstract prepared.