Belkharroubi, Fadila and Belkilali, Walid and Khelfaoui, Friha and Boudahri, Fethi and Zahraoui, Mehdi and Belmiloud, Nawal and Bentayeb, Kader and Abdellah, El Hadj Adel and Bennoui, Radja Nour El Imene and Belbachir, Raghed and Al-Douri, Yarub (2024) Structural, elastic, electronic, and magnetic properties of Nd-Doped NaScGe half-Heusler compound by Ab-Initio method. Crystal Research and Technology, 59 (1). ISSN 0232-1300, DOI https://doi.org/10.1002/crat.202300238.
Full text not available from this repository.Abstract
A comprehensive investigation is conducted on the electronic structure and magnetic properties of half-Heusler NaScGe, which is doped with a rare earth element Nd with different concentrations. The Heusler Na1-xNdxScGe (where x = 0, 0.25, 0.75, and 1) compounds are thoroughly investigated. The examination encompassed structural, elastic, magnetic, and electronic characteristics using the full potential linearized augmented plane wave (FP-LAPW) method. Generalized gradient approximation (GGA) is used to calculate the structural parameters and electronic characteristics. The equilibrium lattice constant and band gap of half-Heusler NaScGe are found to be in good accord with other data. The density of states (DOS) investigation has revealed a semiconductor behavior of half-Heusler NaScGe and half-metallic ferromagnetic properties of quaternary-Heusler Na0.75Nd0.25ScGe, characterized by a moderate band gap in minority spin channel. In addition, the DOS analysis has shown that both ternary half-Heusler NdScGe and QH Na0.25Nd0.75ScGe compounds have exhibited metallic ferromagnetic activity. The work has introduced a novel approach for producing half metals from the semiconductor half-Heusler NaScGe. Quaternary-Heusler Na0.75Nd0.25ScGe is identified as a promising material for applications spintronic. It is to investigate the NaScGe compound will undergo doping with an element (4f) by substituting Na (2s) with a srare element Nd (4f) and some properties of the quaternary compounds Na1-xNdxScGe (with x = 0.25, 0.75). All the calculations have performed including interpolated lattice constant between the two end members, NaScGe and NdScGe compounds.image
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | half heusler; magnetic properties; Nd-doping |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Nanotechnology & Catalysis Research Centre |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 28 Jun 2024 07:49 |
| Last Modified: | 28 Jun 2024 07:49 |
| URI: | http://eprints.um.edu.my/id/eprint/44266 |
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