File Download
Links for fulltext
(May Require Subscription)
- Publisher Website: 10.1063/1.4800845
- Scopus: eid_2-s2.0-84876123372
- WOS: WOS:000317240200043
- Find via
Supplementary
- Citations:
- Appears in Collections:
Article: Band offset of GaAs/AlxGa1-xAs heterojunctions from atomistic first principles
Title | Band offset of GaAs/AlxGa1-xAs heterojunctions from atomistic first principles |
---|---|
Authors | |
Issue Date | 2013 |
Publisher | American Institute of Physics. The Journal's web site is located at http://apl.aip.org/ |
Citation | Applied Physics Letters, 2013, v. 102 n. 13, article no. 132109 How to Cite? |
Abstract | Using an atomistic first principles approach, we investigate the band offset of the GaAs/AlxGa1-xAs heterojunctions for the entire range of the Al doping concentration 0 x 1. We apply the coherent potential approach to handle the configuration average of Al doping and a recently proposed semi-local exchange potential to accurately determine the band gaps of the materials. The calculated band structures of the GaAs, AlAs crystals and band gaps of the AlxGa1-xAs alloys, are in very good agreement with the experimental results. We predict that valence band offset of the GaAs/AlxGa1-xAs heterojunction scales with the Al concentration x in a linear fashion as V B O (x) ≃ 0.587 x, and the conduction band offset scales with x in a nonlinear fashion. Quantitative comparisons to the corresponding experimental data are made. © 2013 American Institute of Physics. |
Persistent Identifier | http://hdl.handle.net/10722/192650 |
ISSN | 2023 Impact Factor: 3.5 2023 SCImago Journal Rankings: 0.976 |
ISI Accession Number ID |
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Wang, Y | en_US |
dc.contributor.author | Zahid, F | en_US |
dc.contributor.author | Zhu, Y | en_US |
dc.contributor.author | Liu, L | en_US |
dc.contributor.author | Wang, J | en_US |
dc.contributor.author | Guo, H | en_US |
dc.date.accessioned | 2013-11-20T04:54:18Z | - |
dc.date.available | 2013-11-20T04:54:18Z | - |
dc.date.issued | 2013 | en_US |
dc.identifier.citation | Applied Physics Letters, 2013, v. 102 n. 13, article no. 132109 | - |
dc.identifier.issn | 0003-6951 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/192650 | - |
dc.description.abstract | Using an atomistic first principles approach, we investigate the band offset of the GaAs/AlxGa1-xAs heterojunctions for the entire range of the Al doping concentration 0 x 1. We apply the coherent potential approach to handle the configuration average of Al doping and a recently proposed semi-local exchange potential to accurately determine the band gaps of the materials. The calculated band structures of the GaAs, AlAs crystals and band gaps of the AlxGa1-xAs alloys, are in very good agreement with the experimental results. We predict that valence band offset of the GaAs/AlxGa1-xAs heterojunction scales with the Al concentration x in a linear fashion as V B O (x) ≃ 0.587 x, and the conduction band offset scales with x in a nonlinear fashion. Quantitative comparisons to the corresponding experimental data are made. © 2013 American Institute of Physics. | en_US |
dc.language | eng | en_US |
dc.publisher | American Institute of Physics. The Journal's web site is located at http://apl.aip.org/ | - |
dc.relation.ispartof | Applied Physics Letters | en_US |
dc.rights | Copyright 2013 American Institute of Physics. 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, 2013, v. 102 n. 13, article no. 132109 and may be found at https://doi.org/10.1063/1.4800845 | - |
dc.title | Band offset of GaAs/AlxGa1-xAs heterojunctions from atomistic first principles | en_US |
dc.type | Article | en_US |
dc.description.nature | published_or_final_version | en_US |
dc.identifier.doi | 10.1063/1.4800845 | en_US |
dc.identifier.scopus | eid_2-s2.0-84876123372 | en_US |
dc.identifier.hkuros | 214085 | - |
dc.identifier.volume | 102 | en_US |
dc.identifier.issue | 13 | en_US |
dc.identifier.spage | article no. 132109 | - |
dc.identifier.epage | article no. 132109 | - |
dc.identifier.isi | WOS:000317240200043 | - |
dc.identifier.issnl | 0003-6951 | - |