Investigation of structural, elastic, electronic, magnetic and optical properties for the full Heusler alloy: Co2FeGa.
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| Title: | Investigation of structural, elastic, electronic, magnetic and optical properties for the full Heusler alloy: Co2FeGa. |
|---|---|
| Authors: | Ramdane, O.1 (AUTHOR), Labidi, M.1,2 (AUTHOR) m.labidi@ensti-annaba.dz, Mender, S.1 (AUTHOR), Labidi, S.1 (AUTHOR), Masrour, R.1,3 (AUTHOR) rachidmasrour@hotmail.com |
| Source: | Journal of Molecular Structure. Apr2025, Vol. 1326, pN.PAG-N.PAG. 1p. |
| Subjects: | Heusler alloys, Electronic band structure, Elastic constants, Lattice constants, Elasticity |
| Abstract: | • Structural, electronic, magnetic, and elastic properties of Co 2 FeGa explored. • FP-LAPW method used within DFT to analyze Co2FeGa Heusler alloy properties. • WC-GGA approach calculates stable states, lattice parameter, and enthalpy. • mBJ-GGA method evaluates electronic band structure and density of states. • Magnetic moments calculated using GGA+ U , mBJ-GGA, and WC-GGA approximations. By using the full potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). The physical properties such: structural, electronic, magnetic, optical and elastic properties for the full Heusler alloy Co 2 FeGa are investigated and discussed. The exchange-correlation potential was treated using two of approximations where the WC-GGA is used to calculate the stable state of the material for both Fm-3m and F43-m space groups from the FM, NM, and the AFM states by calculating all of their structural parameters from the lattice parameter a (Å) to the enthalpy ∆H f and to calculate also the elastic constants. The mBJ-GGA approximation used to calculate the electronic BS and the DOS. In last both of those approximations in addition to the GGA+ U approximation are used to calculate the magnetic total (M tot) and partial (M co , M Fe and M Ga) moments. Our calculations and results are in good agreement with previous works. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Molecular Structure is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 182501234 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Investigation of structural, elastic, electronic, magnetic and optical properties for the full Heusler alloy: Co2FeGa. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Ramdane%2C+O%2E%22">Ramdane, O.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Labidi%2C+M%2E%22">Labidi, M.</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> m.labidi@ensti-annaba.dz</i><br /><searchLink fieldCode="AR" term="%22Mender%2C+S%2E%22">Mender, S.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Labidi%2C+S%2E%22">Labidi, S.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Masrour%2C+R%2E%22">Masrour, R.</searchLink><relatesTo>1,3</relatesTo> (AUTHOR)<i> rachidmasrour@hotmail.com</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Structure%22">Journal of Molecular Structure</searchLink>. Apr2025, Vol. 1326, pN.PAG-N.PAG. 1p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Heusler+alloys%22">Heusler alloys</searchLink><br /><searchLink fieldCode="DE" term="%22Electronic+band+structure%22">Electronic band structure</searchLink><br /><searchLink fieldCode="DE" term="%22Elastic+constants%22">Elastic constants</searchLink><br /><searchLink fieldCode="DE" term="%22Lattice+constants%22">Lattice constants</searchLink><br /><searchLink fieldCode="DE" term="%22Elasticity%22">Elasticity</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: • Structural, electronic, magnetic, and elastic properties of Co 2 FeGa explored. • FP-LAPW method used within DFT to analyze Co2FeGa Heusler alloy properties. • WC-GGA approach calculates stable states, lattice parameter, and enthalpy. • mBJ-GGA method evaluates electronic band structure and density of states. • Magnetic moments calculated using GGA+ U , mBJ-GGA, and WC-GGA approximations. By using the full potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). The physical properties such: structural, electronic, magnetic, optical and elastic properties for the full Heusler alloy Co 2 FeGa are investigated and discussed. The exchange-correlation potential was treated using two of approximations where the WC-GGA is used to calculate the stable state of the material for both Fm-3m and F43-m space groups from the FM, NM, and the AFM states by calculating all of their structural parameters from the lattice parameter a (Å) to the enthalpy ∆H f and to calculate also the elastic constants. The mBJ-GGA approximation used to calculate the electronic BS and the DOS. In last both of those approximations in addition to the GGA+ U approximation are used to calculate the magnetic total (M tot) and partial (M co , M Fe and M Ga) moments. Our calculations and results are in good agreement with previous works. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Molecular Structure is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.molstruc.2024.141028 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 1 StartPage: N.PAG Subjects: – SubjectFull: Heusler alloys Type: general – SubjectFull: Electronic band structure Type: general – SubjectFull: Elastic constants Type: general – SubjectFull: Lattice constants Type: general – SubjectFull: Elasticity Type: general Titles: – TitleFull: Investigation of structural, elastic, electronic, magnetic and optical properties for the full Heusler alloy: Co2FeGa. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ramdane, O. – PersonEntity: Name: NameFull: Labidi, M. – PersonEntity: Name: NameFull: Mender, S. – PersonEntity: Name: NameFull: Labidi, S. – PersonEntity: Name: NameFull: Masrour, R. IsPartOfRelationships: – BibEntity: Dates: – D: 05 M: 04 Text: Apr2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 00222860 Numbering: – Type: volume Value: 1326 Titles: – TitleFull: Journal of Molecular Structure Type: main |
| ResultId | 1 |
