Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures
Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Alaya, R. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2017 |
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| Schlagwörter: |
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| Anmerkung: |
© The Minerals, Metals & Materials Society 2017 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of electronic materials - Warrendale, Pa : TMS, 1972, 46(2017), 4 vom: 13. Feb., Seite 1977-1983 |
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| Übergeordnetes Werk: |
volume:46 ; year:2017 ; number:4 ; day:13 ; month:02 ; pages:1977-1983 |
| Links: |
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| DOI / URN: |
10.1007/s11664-017-5318-y |
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| Katalog-ID: |
SPR021538700 |
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| 100 | 1 | |a Alaya, R. |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures |
| 264 | 1 | |c 2017 | |
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| 520 | |a Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. | ||
| 650 | 4 | |a First principles calculations |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a spin–orbit interaction |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a relativistic band structure |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a optical properties |7 (dpeaa)DE-He213 | |
| 700 | 1 | |a Slama, S. |4 aut | |
| 700 | 1 | |a Hashassi, M. |4 aut | |
| 700 | 1 | |a Mbarki, M. |4 aut | |
| 700 | 1 | |a Rebey, A. |4 aut | |
| 700 | 1 | |a Alaya, S. |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Journal of electronic materials |d Warrendale, Pa : TMS, 1972 |g 46(2017), 4 vom: 13. Feb., Seite 1977-1983 |w (DE-627)324918739 |w (DE-600)2032868-0 |x 1543-186X |7 nnns |
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10.1007/s11664-017-5318-y doi (DE-627)SPR021538700 (SPR)s11664-017-5318-y-e DE-627 ger DE-627 rakwb eng Alaya, R. verfasserin aut Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2017 Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. First principles calculations (dpeaa)DE-He213 spin–orbit interaction (dpeaa)DE-He213 relativistic band structure (dpeaa)DE-He213 optical properties (dpeaa)DE-He213 Slama, S. aut Hashassi, M. aut Mbarki, M. aut Rebey, A. aut Alaya, S. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 46(2017), 4 vom: 13. Feb., Seite 1977-1983 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:46 year:2017 number:4 day:13 month:02 pages:1977-1983 https://dx.doi.org/10.1007/s11664-017-5318-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 46 2017 4 13 02 1977-1983 |
| spelling |
10.1007/s11664-017-5318-y doi (DE-627)SPR021538700 (SPR)s11664-017-5318-y-e DE-627 ger DE-627 rakwb eng Alaya, R. verfasserin aut Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2017 Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. First principles calculations (dpeaa)DE-He213 spin–orbit interaction (dpeaa)DE-He213 relativistic band structure (dpeaa)DE-He213 optical properties (dpeaa)DE-He213 Slama, S. aut Hashassi, M. aut Mbarki, M. aut Rebey, A. aut Alaya, S. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 46(2017), 4 vom: 13. Feb., Seite 1977-1983 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:46 year:2017 number:4 day:13 month:02 pages:1977-1983 https://dx.doi.org/10.1007/s11664-017-5318-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 46 2017 4 13 02 1977-1983 |
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10.1007/s11664-017-5318-y doi (DE-627)SPR021538700 (SPR)s11664-017-5318-y-e DE-627 ger DE-627 rakwb eng Alaya, R. verfasserin aut Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2017 Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. First principles calculations (dpeaa)DE-He213 spin–orbit interaction (dpeaa)DE-He213 relativistic band structure (dpeaa)DE-He213 optical properties (dpeaa)DE-He213 Slama, S. aut Hashassi, M. aut Mbarki, M. aut Rebey, A. aut Alaya, S. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 46(2017), 4 vom: 13. Feb., Seite 1977-1983 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:46 year:2017 number:4 day:13 month:02 pages:1977-1983 https://dx.doi.org/10.1007/s11664-017-5318-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 46 2017 4 13 02 1977-1983 |
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10.1007/s11664-017-5318-y doi (DE-627)SPR021538700 (SPR)s11664-017-5318-y-e DE-627 ger DE-627 rakwb eng Alaya, R. verfasserin aut Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2017 Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. First principles calculations (dpeaa)DE-He213 spin–orbit interaction (dpeaa)DE-He213 relativistic band structure (dpeaa)DE-He213 optical properties (dpeaa)DE-He213 Slama, S. aut Hashassi, M. aut Mbarki, M. aut Rebey, A. aut Alaya, S. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 46(2017), 4 vom: 13. Feb., Seite 1977-1983 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:46 year:2017 number:4 day:13 month:02 pages:1977-1983 https://dx.doi.org/10.1007/s11664-017-5318-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 46 2017 4 13 02 1977-1983 |
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10.1007/s11664-017-5318-y doi (DE-627)SPR021538700 (SPR)s11664-017-5318-y-e DE-627 ger DE-627 rakwb eng Alaya, R. verfasserin aut Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2017 Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. First principles calculations (dpeaa)DE-He213 spin–orbit interaction (dpeaa)DE-He213 relativistic band structure (dpeaa)DE-He213 optical properties (dpeaa)DE-He213 Slama, S. aut Hashassi, M. aut Mbarki, M. aut Rebey, A. aut Alaya, S. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 46(2017), 4 vom: 13. Feb., Seite 1977-1983 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:46 year:2017 number:4 day:13 month:02 pages:1977-1983 https://dx.doi.org/10.1007/s11664-017-5318-y lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 46 2017 4 13 02 1977-1983 |
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Alaya, R. @@aut@@ Slama, S. @@aut@@ Hashassi, M. @@aut@@ Mbarki, M. @@aut@@ Rebey, A. @@aut@@ Alaya, S. @@aut@@ |
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<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">SPR021538700</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230331055226.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">201006s2017 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1007/s11664-017-5318-y</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)SPR021538700</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(SPR)s11664-017-5318-y-e</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Alaya, R.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2017</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© The Minerals, Metals & Materials Society 2017</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. 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Alaya, R. |
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Alaya, R. misc First principles calculations misc spin–orbit interaction misc relativistic band structure misc optical properties Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures |
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Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures First principles calculations (dpeaa)DE-He213 spin–orbit interaction (dpeaa)DE-He213 relativistic band structure (dpeaa)DE-He213 optical properties (dpeaa)DE-He213 |
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Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures |
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Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures |
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Alaya, R. Slama, S. Hashassi, M. Mbarki, M. Rebey, A. Alaya, S. |
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Alaya, R. |
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10.1007/s11664-017-5318-y |
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theoretical predictions of structural, electronic, and optical properties of dilute bismide $ aln_{1−x} %$ bi_{x} $ in zinc-blend structures |
| title_auth |
Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures |
| abstract |
Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. © The Minerals, Metals & Materials Society 2017 |
| abstractGer |
Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. © The Minerals, Metals & Materials Society 2017 |
| abstract_unstemmed |
Abstract We report the results of first-principles calculations based on the full-potential linearized augmented plane wave (FP-LAPW + lo) method to explore the effects of alloying under the non-conventional AlN III–V compound with bismuth. We have calculated the structural and electronic properties of the binary compounds AlN and AlBi in the zinc blend structure. We have found a good agreement between our results and the experimental and theoretical results available for that binary compounds which may be a support for the results of the ternary alloys. For the AlNBi ternary alloys, we have found a rapid reduction of the energy gap by 1.31 eV/%Bi accompanied by a strong increase in the spin–orbit splitting energy ($ Δ_{so} $) with increasing Bi composition. We have also shown that the $ Δ_{so} $ becomes greater than the energy gap for composition of Bi about 4.2% ($ Δ_{so} $ > Eg). This result is significant due to the possibility of suppressing Auger recombination, which is expected to improve the high temperature performance and thermal stability of light emitting devices. Finally, we have calculated the variation of the optical properties of AlNBi compounds, such as dielectric function and refractive index versus Bi composition. © The Minerals, Metals & Materials Society 2017 |
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4 |
| title_short |
Theoretical Predictions of Structural, Electronic, and Optical Properties of Dilute Bismide $ AlN_{1−x} %$ Bi_{x} $ in Zinc-Blend Structures |
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https://dx.doi.org/10.1007/s11664-017-5318-y |
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Slama, S. Hashassi, M. Mbarki, M. Rebey, A. Alaya, S. |
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Slama, S. Hashassi, M. Mbarki, M. Rebey, A. Alaya, S. |
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10.1007/s11664-017-5318-y |
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2024-07-03T23:10:47.595Z |
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| score |
7.4021015 |