First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds
The structural, elastic, and electronic properties of rare earth intermetallic R2Ni2Pb (where R = Ho, Lu, and Sm) compounds were investigated with the density functional theory (DFT) calculations. The calculations are performed using the full potential-linearized augmented plane wave (FP-LAPW) metho...
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Springer Verlag
2018
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| author | Benkaddour, Y. Abdelaoui, A. Yakoubi, Abdelkader Khachai, Houari Al-Douri, Yarub Bin-Omran, Saad Shankar, Amit Khenata, Rabah Voon, Chun Hong Prakash, Deo Verma, Keshav Deo |
| author_facet | Benkaddour, Y. Abdelaoui, A. Yakoubi, Abdelkader Khachai, Houari Al-Douri, Yarub Bin-Omran, Saad Shankar, Amit Khenata, Rabah Voon, Chun Hong Prakash, Deo Verma, Keshav Deo |
| author_sort | Benkaddour, Y. |
| collection | UM |
| description | The structural, elastic, and electronic properties of rare earth intermetallic R2Ni2Pb (where R = Ho, Lu, and Sm) compounds were investigated with the density functional theory (DFT) calculations. The calculations are performed using the full potential-linearized augmented plane wave (FP-LAPW) method within the framework of local density approximation (LDA). The calculated values of the equilibrium lattice constants were in agreement with the available experimental values. The elastic constants (Cij) were also calculated to understand the mechanical properties and structural stability of the compounds. Furthermore, the density of states and the charge density distributions of the compounds were calculated to understand the nature of the bonding in the material. The calculated results are in accordance with the available data in the literature. |
| first_indexed | 2024-03-06T05:56:37Z |
| format | Article |
| id | um.eprints-22320 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:56:37Z |
| publishDate | 2018 |
| publisher | Springer Verlag |
| record_format | dspace |
| spelling | um.eprints-223202019-09-13T02:31:53Z http://eprints.um.edu.my/22320/ First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds Benkaddour, Y. Abdelaoui, A. Yakoubi, Abdelkader Khachai, Houari Al-Douri, Yarub Bin-Omran, Saad Shankar, Amit Khenata, Rabah Voon, Chun Hong Prakash, Deo Verma, Keshav Deo Q Science (General) QC Physics TK Electrical engineering. Electronics Nuclear engineering The structural, elastic, and electronic properties of rare earth intermetallic R2Ni2Pb (where R = Ho, Lu, and Sm) compounds were investigated with the density functional theory (DFT) calculations. The calculations are performed using the full potential-linearized augmented plane wave (FP-LAPW) method within the framework of local density approximation (LDA). The calculated values of the equilibrium lattice constants were in agreement with the available experimental values. The elastic constants (Cij) were also calculated to understand the mechanical properties and structural stability of the compounds. Furthermore, the density of states and the charge density distributions of the compounds were calculated to understand the nature of the bonding in the material. The calculated results are in accordance with the available data in the literature. Springer Verlag 2018 Article PeerReviewed Benkaddour, Y. and Abdelaoui, A. and Yakoubi, Abdelkader and Khachai, Houari and Al-Douri, Yarub and Bin-Omran, Saad and Shankar, Amit and Khenata, Rabah and Voon, Chun Hong and Prakash, Deo and Verma, Keshav Deo (2018) First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds. Journal of Superconductivity and Novel Magnetism, 31 (2). pp. 395-403. ISSN 1557-1939, DOI https://doi.org/10.1007/s10948-017-4234-y <https://doi.org/10.1007/s10948-017-4234-y>. https://doi.org/10.1007/s10948-017-4234-y doi:10.1007/s10948-017-4234-y |
| spellingShingle | Q Science (General) QC Physics TK Electrical engineering. Electronics Nuclear engineering Benkaddour, Y. Abdelaoui, A. Yakoubi, Abdelkader Khachai, Houari Al-Douri, Yarub Bin-Omran, Saad Shankar, Amit Khenata, Rabah Voon, Chun Hong Prakash, Deo Verma, Keshav Deo First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds |
| title | First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds |
| title_full | First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds |
| title_fullStr | First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds |
| title_full_unstemmed | First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds |
| title_short | First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds |
| title_sort | first principle calculations of structural elastic and electronic properties of intermetallic rare earth r2ni2pb r ho lu and sm compounds |
| topic | Q Science (General) QC Physics TK Electrical engineering. Electronics Nuclear engineering |
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