Theoretical investigation of new Heusler alloys Ru sub(2)VGa sub(1-x)Al sub(x)

Results of first-principles full-potential linearized augmented plane wave calculations of elastic and related electronic and thermodynamic properties of the quaternary Heusler alloys Ru sub(2)VAl sub(x)Ga sub(1-x) (x = 0, 0.25, 0.5, 0.75, 1) are presented. These materials were found to have the L2...

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Published inJournal of alloys and compounds Vol. 637; pp. 557 - 563
Main Authors Abbassa, Hamza, Hadjri-Mebarki, Soria, Amrani, Bouhalouane, Belaroussi, Tayeb, Khodja, Kouider Driss, Aubert, Pascal
Format Journal Article
LanguageEnglish
Published 15.07.2015
Subjects
Alloys
Debye temperature
Elastic constants
Electronics
Heusler alloys
Lattice parameters
Mathematical analysis
Plane waves
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Summary:Results of first-principles full-potential linearized augmented plane wave calculations of elastic and related electronic and thermodynamic properties of the quaternary Heusler alloys Ru sub(2)VAl sub(x)Ga sub(1-x) (x = 0, 0.25, 0.5, 0.75, 1) are presented. These materials were found to have the L2 sub(1) structure for all concentrations. The agreement between the theoretical and experimental lattice parameters for both Ru sub(2)VAl and Ru sub(2)VGa at various temperatures was found to be satisfactory. Our results provide predictions for the remaining mixed more >> Heusler alloys Ru sub(2)VAl sub(x)Ga sub(1-x) (0 < x < 1) for which no direct experimental or theoretical data are presently available. In their equilibrium L2 sub(1) structure, all concentrations are non-magnetic metals. A linear variation of the lattice parameter, bulk modulus, elastic constants and Debye temperature has been observed with x.
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ISSN:0925-8388
DOI:10.1016/j.jallcom.2015.02.208