Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain
Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for...
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Gespeichert in:
| Autor*in: |
Javed, Y. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2018 |
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| Schlagwörter: |
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| Anmerkung: |
© The Minerals, Metals & Materials Society 2018 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of electronic materials - Warrendale, Pa : TMS, 1972, 47(2018), 11 vom: 01. Aug., Seite 6443-6449 |
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| Übergeordnetes Werk: |
volume:47 ; year:2018 ; number:11 ; day:01 ; month:08 ; pages:6443-6449 |
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| DOI / URN: |
10.1007/s11664-018-6547-4 |
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SPR021545421 |
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| 520 | |a Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. | ||
| 650 | 4 | |a Thermoelectric |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a biaxial tensile strain |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a band structure |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a thermopower |7 (dpeaa)DE-He213 | |
| 700 | 1 | |a Rafiq, M. A. |0 (orcid)0000-0002-3880-8801 |4 aut | |
| 700 | 1 | |a Hasan, M. M. |4 aut | |
| 700 | 1 | |a Mirza, Sikander M. |4 aut | |
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10.1007/s11664-018-6547-4 doi (DE-627)SPR021545421 (SPR)s11664-018-6547-4-e DE-627 ger DE-627 rakwb eng Javed, Y. verfasserin aut Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain 2018 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2018 Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. Thermoelectric (dpeaa)DE-He213 biaxial tensile strain (dpeaa)DE-He213 band structure (dpeaa)DE-He213 thermopower (dpeaa)DE-He213 Rafiq, M. A. (orcid)0000-0002-3880-8801 aut Hasan, M. M. aut Mirza, Sikander M. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 47(2018), 11 vom: 01. Aug., Seite 6443-6449 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:47 year:2018 number:11 day:01 month:08 pages:6443-6449 https://dx.doi.org/10.1007/s11664-018-6547-4 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 47 2018 11 01 08 6443-6449 |
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10.1007/s11664-018-6547-4 doi (DE-627)SPR021545421 (SPR)s11664-018-6547-4-e DE-627 ger DE-627 rakwb eng Javed, Y. verfasserin aut Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain 2018 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2018 Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. Thermoelectric (dpeaa)DE-He213 biaxial tensile strain (dpeaa)DE-He213 band structure (dpeaa)DE-He213 thermopower (dpeaa)DE-He213 Rafiq, M. A. (orcid)0000-0002-3880-8801 aut Hasan, M. M. aut Mirza, Sikander M. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 47(2018), 11 vom: 01. Aug., Seite 6443-6449 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:47 year:2018 number:11 day:01 month:08 pages:6443-6449 https://dx.doi.org/10.1007/s11664-018-6547-4 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 47 2018 11 01 08 6443-6449 |
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10.1007/s11664-018-6547-4 doi (DE-627)SPR021545421 (SPR)s11664-018-6547-4-e DE-627 ger DE-627 rakwb eng Javed, Y. verfasserin aut Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain 2018 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2018 Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. Thermoelectric (dpeaa)DE-He213 biaxial tensile strain (dpeaa)DE-He213 band structure (dpeaa)DE-He213 thermopower (dpeaa)DE-He213 Rafiq, M. A. (orcid)0000-0002-3880-8801 aut Hasan, M. M. aut Mirza, Sikander M. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 47(2018), 11 vom: 01. Aug., Seite 6443-6449 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:47 year:2018 number:11 day:01 month:08 pages:6443-6449 https://dx.doi.org/10.1007/s11664-018-6547-4 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 47 2018 11 01 08 6443-6449 |
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10.1007/s11664-018-6547-4 doi (DE-627)SPR021545421 (SPR)s11664-018-6547-4-e DE-627 ger DE-627 rakwb eng Javed, Y. verfasserin aut Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain 2018 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2018 Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. Thermoelectric (dpeaa)DE-He213 biaxial tensile strain (dpeaa)DE-He213 band structure (dpeaa)DE-He213 thermopower (dpeaa)DE-He213 Rafiq, M. A. (orcid)0000-0002-3880-8801 aut Hasan, M. M. aut Mirza, Sikander M. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 47(2018), 11 vom: 01. Aug., Seite 6443-6449 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:47 year:2018 number:11 day:01 month:08 pages:6443-6449 https://dx.doi.org/10.1007/s11664-018-6547-4 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 47 2018 11 01 08 6443-6449 |
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10.1007/s11664-018-6547-4 doi (DE-627)SPR021545421 (SPR)s11664-018-6547-4-e DE-627 ger DE-627 rakwb eng Javed, Y. verfasserin aut Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain 2018 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2018 Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. Thermoelectric (dpeaa)DE-He213 biaxial tensile strain (dpeaa)DE-He213 band structure (dpeaa)DE-He213 thermopower (dpeaa)DE-He213 Rafiq, M. A. (orcid)0000-0002-3880-8801 aut Hasan, M. M. aut Mirza, Sikander M. aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 47(2018), 11 vom: 01. Aug., Seite 6443-6449 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:47 year:2018 number:11 day:01 month:08 pages:6443-6449 https://dx.doi.org/10.1007/s11664-018-6547-4 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 47 2018 11 01 08 6443-6449 |
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Enthalten in Journal of electronic materials 47(2018), 11 vom: 01. Aug., Seite 6443-6449 volume:47 year:2018 number:11 day:01 month:08 pages:6443-6449 |
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Thermoelectric biaxial tensile strain band structure thermopower |
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Javed, Y. @@aut@@ Rafiq, M. A. @@aut@@ Hasan, M. M. @@aut@@ Mirza, Sikander M. @@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">SPR021545421</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230331055253.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">201006s2018 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1007/s11664-018-6547-4</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)SPR021545421</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(SPR)s11664-018-6547-4-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">Javed, Y.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2018</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 2018</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Thermoelectric</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">biaxial tensile strain</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">band structure</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">thermopower</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Rafiq, M. A.</subfield><subfield code="0">(orcid)0000-0002-3880-8801</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Hasan, M. M.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Mirza, Sikander M.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Journal of electronic materials</subfield><subfield code="d">Warrendale, Pa : TMS, 1972</subfield><subfield code="g">47(2018), 11 vom: 01. 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Javed, Y. |
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Javed, Y. misc Thermoelectric misc biaxial tensile strain misc band structure misc thermopower Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain |
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Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain Thermoelectric (dpeaa)DE-He213 biaxial tensile strain (dpeaa)DE-He213 band structure (dpeaa)DE-He213 thermopower (dpeaa)DE-He213 |
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misc Thermoelectric misc biaxial tensile strain misc band structure misc thermopower |
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Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain |
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improvement in thermoelectric performance of sns due to electronic structure modification under biaxial strain |
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Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain |
| abstract |
Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. © The Minerals, Metals & Materials Society 2018 |
| abstractGer |
Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. © The Minerals, Metals & Materials Society 2018 |
| abstract_unstemmed |
Abstract Ab-initio calculations using the full potential linearized augmented plane-wave technique and the semi-classical Boltzmann theory are used to study thermoelectric properties of unstrained SnS and at 1%, 2% and 3% applied biaxial tensile (BT) strain. The studies are carried out at 800 K for p-type and n-type carriers. For an increase in BT strain, lattice constants of SnS change causing changes in the band structure and increase in the band gap which in turn modifies thermoelectric coefficients. In the case of unstrained SnS, the maximum thermopower (S) obtained is 426 μV/K at carrier concentration 5.40 × $ 10^{18} $ $ cm^{−3} $ for p-type carriers and 435 μV/K at carrier concentration 1.68 × $ 10^{18} $ $ cm^{−3} $ for n-type carriers. At 3% applied BT strain, S is increased to 696 μV/K at carrier concentration 4.61 × $ 10^{17} $ $ cm^{−3} $ for p-type carriers and 624 μV/K at carrier concentration 3.21 × $ 10^{17} $ $ cm^{−3} $ for n-type carriers. The power factor (PF) increases ∼ 2 times at 3% BT strain as compared to unstrained SnS, and it is 6.20 mW $ K^{−2} $ $ m^{−1} $ for p-type carriers. For n-type carriers, PF at 3% applied BT is slightly less than the PF for unstrained SnS, which is 6.81 mW $ K^{−2} $ $ m^{−1} $. For both types of carriers, the figure of merit (ZT) is found to be ∼ 1.5 for unstrained SnS. For p-type carriers ZT is enhanced 1.4 times at 3% applied BT strain as compared to that of unstrained SnS. However, for n-type carriers, ZT does not change drastically with increase in BT strain. © The Minerals, Metals & Materials Society 2018 |
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| title_short |
Improvement in Thermoelectric Performance of SnS Due to Electronic Structure Modification Under Biaxial Strain |
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https://dx.doi.org/10.1007/s11664-018-6547-4 |
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Rafiq, M. A. Hasan, M. M. Mirza, Sikander M. |
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Rafiq, M. A. Hasan, M. M. Mirza, Sikander M. |
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10.1007/s11664-018-6547-4 |
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2024-07-03T23:13:16.412Z |
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| score |
7.400483 |