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Structural, elastic...
Structural, elastic, electronic, and magnetic properties of Ni2MnSb, Ni2MnSn, and Ni2MnSb0.5Sn0.5 magnetic shape memory alloys
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- Benguerine, O. (author)
- Univ Djillali Liabes Sidi Bel Abbes, Phys Dept, Lab Catalysis & React Syst, Sidi Bel Abbes 22000, Algeria
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- Nabi, Z. (author)
- Univ Djillali Liabes Sidi Bel Abbes, Phys Dept, Lab Catalysis & React Syst, Sidi Bel Abbes 22000, Algeria
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- Benichou, B. (author)
- Hassiba Benbouali Univ, Dept Elect, Fac Technol, Chlef 02000, Algeria
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- Bouabdallah, B. (author)
- Univ Djillali Liabes Sidi Bel Abbes, Phys Dept, Sidi Bel Abbes 22000, Algeria
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- Bouchenafa, H. (author)
- Hassiba Benbouali Univ, Fac Sci Exact & Informat, Phys Dept, Chlef 02000, Algeria
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- Maachou, M. (author)
- Univ Djillali Liabes Sidi Bel Abbes, Phys Dept, Lab Catalysis & React Syst, Sidi Bel Abbes 22000, Algeria
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- Ahuja, Rajeev, 1965- (author)
- Uppsala universitet,Materialteori,Condensed Matter Theory Group
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(creator_code:org_t)
- SOC MEXICANA FISICA, 2020
- 2020
- English.
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In: Revista mexicana de física. - : SOC MEXICANA FISICA. - 0035-001X. ; 66:2, s. 121-126
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.3...
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Abstract
Subject headings
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- Structural, elastic, electronic, and magnetic properties of the Nickel-based magnetic shape memory alloys (MSMA) Ni2MnSb, Ni2MnSn and Ni2MnSb0.5Sn0.5, are investigated using the full-potential linearized plane wave plus local orbital method (FP-LAPW+10). With Perdew-Burke-Ernzerhof (PBE) exchange-correlation, generalized gradient approximation (GGA) is used to describe the electronic exchange correlation energy. Equilibrium lattice constant, bulk modulus, and its pressure derivative are calculated and compared with available data. Using the total energy versus strain in the framework of the FP-LAPW+lo approach, we compute the elastic constants of the studied compounds in their austenite structure. Good agreement is found with other calculations both for Ni2MnSb and Ni2MnSn. Magnetic moments agree well with available results.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- Ab initio study
- MSMA alloys
- elastic constants
- quaternary Heusler alloy
Publication and Content Type
- ref (subject category)
- art (subject category)
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