Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations
The structural, elastic, thermodynamic, magnetic, and electronic properties of strontium-filled skutterudite component SrFe4 Sb12 using the full potential-linear muffin-tin orbital (FP-LMTO) calculation were studied. The local density approximation (LDA) and local spin density approximation (LSDA) f...
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| Format: | Article |
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Springer Verlag
2018
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| _version_ | 1825721885469442048 |
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| author | Amari, Malika Ameri, Mohammed Bouyakoub, Amel Zahira Arbouche, Omar Bidai, Kada Bensaid, Djillali Ameri, Ibrahim Al-Douri, Yarub |
| author_facet | Amari, Malika Ameri, Mohammed Bouyakoub, Amel Zahira Arbouche, Omar Bidai, Kada Bensaid, Djillali Ameri, Ibrahim Al-Douri, Yarub |
| author_sort | Amari, Malika |
| collection | UM |
| description | The structural, elastic, thermodynamic, magnetic, and electronic properties of strontium-filled skutterudite component SrFe4 Sb12 using the full potential-linear muffin-tin orbital (FP-LMTO) calculation were studied. The local density approximation (LDA) and local spin density approximation (LSDA) for predicting the physical properties were used. The internal parameters used to calculate the ground state properties such as lattice constant, bulk modulus, and its derivative pressure were optimized. Then, we have deduced the elastic constants, shear modulus G, Young modulus E, Poisson’s ratio ν, anisotropic parameter A, ratio B/G, and the Debye temperature (θD). The quasi-harmonic Debye model as implemented in the Gibbs program is applied to determine the thermal properties such as the Debye temperature (θD), heat capacity Cv and Cp, thermal expansion coefficient α Helmholtz free energy (A), Gibbs free energy (G), entropy (S) and internal energy (U) at different pressures and temperatures. |
| first_indexed | 2024-03-06T05:57:11Z |
| format | Article |
| id | um.eprints-22510 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:57:11Z |
| publishDate | 2018 |
| publisher | Springer Verlag |
| record_format | dspace |
| spelling | um.eprints-225102019-09-23T09:07:44Z http://eprints.um.edu.my/22510/ Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations Amari, Malika Ameri, Mohammed Bouyakoub, Amel Zahira Arbouche, Omar Bidai, Kada Bensaid, Djillali Ameri, Ibrahim Al-Douri, Yarub QC Physics TK Electrical engineering. Electronics Nuclear engineering The structural, elastic, thermodynamic, magnetic, and electronic properties of strontium-filled skutterudite component SrFe4 Sb12 using the full potential-linear muffin-tin orbital (FP-LMTO) calculation were studied. The local density approximation (LDA) and local spin density approximation (LSDA) for predicting the physical properties were used. The internal parameters used to calculate the ground state properties such as lattice constant, bulk modulus, and its derivative pressure were optimized. Then, we have deduced the elastic constants, shear modulus G, Young modulus E, Poisson’s ratio ν, anisotropic parameter A, ratio B/G, and the Debye temperature (θD). The quasi-harmonic Debye model as implemented in the Gibbs program is applied to determine the thermal properties such as the Debye temperature (θD), heat capacity Cv and Cp, thermal expansion coefficient α Helmholtz free energy (A), Gibbs free energy (G), entropy (S) and internal energy (U) at different pressures and temperatures. Springer Verlag 2018 Article PeerReviewed Amari, Malika and Ameri, Mohammed and Bouyakoub, Amel Zahira and Arbouche, Omar and Bidai, Kada and Bensaid, Djillali and Ameri, Ibrahim and Al-Douri, Yarub (2018) Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations. Journal of Superconductivity and Novel Magnetism, 31 (3). pp. 915-923. ISSN 1557-1939, DOI https://doi.org/10.1007/s10948-017-4268-1 <https://doi.org/10.1007/s10948-017-4268-1>. https://doi.org/10.1007/s10948-017-4268-1 doi:10.1007/s10948-017-4268-1 |
| spellingShingle | QC Physics TK Electrical engineering. Electronics Nuclear engineering Amari, Malika Ameri, Mohammed Bouyakoub, Amel Zahira Arbouche, Omar Bidai, Kada Bensaid, Djillali Ameri, Ibrahim Al-Douri, Yarub Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations |
| title | Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations |
| title_full | Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations |
| title_fullStr | Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations |
| title_full_unstemmed | Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations |
| title_short | Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations |
| title_sort | effect of temperature and pressure on structural and magnetic properties of strontium filled skutterudites srt4sb12 lda and lsda calculations |
| topic | QC Physics TK Electrical engineering. Electronics Nuclear engineering |
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