Electronic Structure and Optical Properties of GaAs1-xBix Alloy
A first-principles study has been performed to investigate the structural and electronic properties of the GaAs1-xBix system. The simulations are based upon the generalized gradient approximation (GGA) within the framework of density functional theory (DFT). Calculations are performed to different B...
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| Format: | Article |
| Language: | English |
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Wiley
2014-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2014/496898 |
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| _version_ | 1832548721590534144 |
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| author | Xindong You Renjie Zhou |
| author_facet | Xindong You Renjie Zhou |
| author_sort | Xindong You |
| collection | DOAJ |
| description | A first-principles study has been performed to investigate the structural and electronic properties of the GaAs1-xBix system. The simulations are based upon the generalized gradient approximation (GGA) within the framework of density functional theory (DFT). Calculations are performed to different Bi concentrations. The lattice constant of GaAs1-xBix increases with Bi concentration while the alloy remains in the zinc-blende structure. The band gap of GaAs1-xBix clearly shrinks with the Bi concentration. The optical transition of Bi dopant in GaAs exhibits a red shift. Besides, other important optical constants, such as the dielectric function, reflectivity, refractive index, and loss function also change significantly. |
| format | Article |
| id | doaj-art-ff083c83c2ea450a9cf00fb30068c5fe |
| institution | Kabale University |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2014-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-ff083c83c2ea450a9cf00fb30068c5fe2025-02-03T06:13:19ZengWileyAdvances in Condensed Matter Physics1687-81081687-81242014-01-01201410.1155/2014/496898496898Electronic Structure and Optical Properties of GaAs1-xBix AlloyXindong You0Renjie Zhou1School of Computer Science, Hangzhou Dianzi University, Hangzhou 310037, ChinaSchool of Computer Science, Hangzhou Dianzi University, Hangzhou 310037, ChinaA first-principles study has been performed to investigate the structural and electronic properties of the GaAs1-xBix system. The simulations are based upon the generalized gradient approximation (GGA) within the framework of density functional theory (DFT). Calculations are performed to different Bi concentrations. The lattice constant of GaAs1-xBix increases with Bi concentration while the alloy remains in the zinc-blende structure. The band gap of GaAs1-xBix clearly shrinks with the Bi concentration. The optical transition of Bi dopant in GaAs exhibits a red shift. Besides, other important optical constants, such as the dielectric function, reflectivity, refractive index, and loss function also change significantly.http://dx.doi.org/10.1155/2014/496898 |
| spellingShingle | Xindong You Renjie Zhou Electronic Structure and Optical Properties of GaAs1-xBix Alloy Advances in Condensed Matter Physics |
| title | Electronic Structure and Optical Properties of GaAs1-xBix Alloy |
| title_full | Electronic Structure and Optical Properties of GaAs1-xBix Alloy |
| title_fullStr | Electronic Structure and Optical Properties of GaAs1-xBix Alloy |
| title_full_unstemmed | Electronic Structure and Optical Properties of GaAs1-xBix Alloy |
| title_short | Electronic Structure and Optical Properties of GaAs1-xBix Alloy |
| title_sort | electronic structure and optical properties of gaas1 xbix alloy |
| url | http://dx.doi.org/10.1155/2014/496898 |
| work_keys_str_mv | AT xindongyou electronicstructureandopticalpropertiesofgaas1xbixalloy AT renjiezhou electronicstructureandopticalpropertiesofgaas1xbixalloy |