Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO Method
In this present work, we will study the physical properties of a brand new semiconductor material. the structural stability and the electronic properties of Scandium Arsenide (ScAs) and Aluminum Arsenide (AlAs) semiconductors as well as their ternary alloys (AlxSc1-xAs,0 ≤ x!!!x0020;≤ 1) in both roc...
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2024-12-01
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| Series: | Annals of West University of Timisoara: Physics |
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| Online Access: | https://doi.org/10.2478/awutp-2024-0008 |
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| author | Betraoui F. Rekab-Djabri H. Baddari K. Daoud S. |
| author_facet | Betraoui F. Rekab-Djabri H. Baddari K. Daoud S. |
| author_sort | Betraoui F. |
| collection | DOAJ |
| description | In this present work, we will study the physical properties of a brand new semiconductor material. the structural stability and the electronic properties of Scandium Arsenide (ScAs) and Aluminum Arsenide (AlAs) semiconductors as well as their ternary alloys (AlxSc1-xAs,0 ≤ x!!!x0020;≤ 1) in both rocksalt RS (B1) and zincblende ZB (B3). Calculations on both structures are done the method (FPLMTO, Full Potential Linear Muffin Tin). In the framework of density functional theory (DFT). The exchange-correlation potential was calculated using both the Local Density Approximation and the Generalized Gradient Approximation. |
| format | Article |
| id | doaj-art-4af27cc6a1784561b91bcd8ba01326bc |
| institution | Kabale University |
| issn | 2784-1057 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Sciendo |
| record_format | Article |
| series | Annals of West University of Timisoara: Physics |
| spelling | doaj-art-4af27cc6a1784561b91bcd8ba01326bc2024-12-16T08:58:16ZengSciendoAnnals of West University of Timisoara: Physics2784-10572024-12-0166111814110.2478/awutp-2024-0008Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO MethodBetraoui F.0Rekab-Djabri H.1Baddari K.2Daoud S.31Computer Science and Mathematics Laboratory, Physics Department, Faculty of Science and Applied Science, AMOUniversity, 10000, Bouira, Algeria2Laboratory of Micro and Nanophysics (LaMiN), National Polytechnic School Oran, ENPO-MA, BP 1523, El M’Naouer, 31000, Oran, Algeria4Ministry of Higher Education and Scientific Research, Algeria.5Laboratory of Materials and Electronic Systems, Faculty of Sciences and Technology, University Mohamed El Bachir El Ibrahimi of Bordj Bou Arreridj, 34000Bordj Bou Arreridj, AlgeriaIn this present work, we will study the physical properties of a brand new semiconductor material. the structural stability and the electronic properties of Scandium Arsenide (ScAs) and Aluminum Arsenide (AlAs) semiconductors as well as their ternary alloys (AlxSc1-xAs,0 ≤ x!!!x0020;≤ 1) in both rocksalt RS (B1) and zincblende ZB (B3). Calculations on both structures are done the method (FPLMTO, Full Potential Linear Muffin Tin). In the framework of density functional theory (DFT). The exchange-correlation potential was calculated using both the Local Density Approximation and the Generalized Gradient Approximation.https://doi.org/10.2478/awutp-2024-0008dftfp-lmtoalxsc1-xas alloysstructural propertieselectronic propertiesthermal propertiesoptical properties |
| spellingShingle | Betraoui F. Rekab-Djabri H. Baddari K. Daoud S. Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO Method Annals of West University of Timisoara: Physics dft fp-lmto alxsc1-xas alloys structural properties electronic properties thermal properties optical properties |
| title | Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO Method |
| title_full | Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO Method |
| title_fullStr | Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO Method |
| title_full_unstemmed | Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO Method |
| title_short | Study of the Phase Transition and Physical Properties of AlAs, ScAs and AlxSc1-xAs Compounds by the FP-LMTO Method |
| title_sort | study of the phase transition and physical properties of alas scas and alxsc1 xas compounds by the fp lmto method |
| topic | dft fp-lmto alxsc1-xas alloys structural properties electronic properties thermal properties optical properties |
| url | https://doi.org/10.2478/awutp-2024-0008 |
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