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International Journal of Thermophysics

, Volume 34, Issue 3, pp 507–520 | Cite as

Spin-Polarized Calculations of Magnetic and Thermodynamic Properties of the Full-Heusler \(\mathrm{{Co}}_{2}\)MnZ (Z = Al, Ga)

  • R. Mebsout
  • S. Amari
  • S. Méçabih
  • B. AbbarEmail author
  • B. Bouhafs
Article

Abstract

The purpose of this study is to further understanding of the structural, electronic, magnetic, and thermal properties of the full-Heusler compounds, \({\mathrm{{Co}}}_{2}\)MnAl and \({\mathrm{{Co}}}_{2}\)MnGa, using density functional theory. Electronic structure calculations will be performed using the full potential linear augmented plane wave. The electronic structures and magnetic properties of \({\mathrm{{Co}}}_{2}\)MnZ (Z = Al, Ga) compounds with \({\mathrm{L}}2_{1 }\) structure are studied. It is shown that the calculated lattice constants and spin magnetic moments are in good agreement with experimental values using the general gradient approximation method. Thermal effects on some macroscopic properties of \({\mathrm{{Co}}}_{2}\)MnZ (Z = Al, Ga) compounds are predicted using the quasi-harmonic Debye model, in which the lattice vibrations are taken into account. The variations of the lattice constant, volume expansion coefficient, heat capacities, and Debye temperature with pressure and temperature in the ranges of 0 GPa to 18 GPa and 0 K to700 K have been obtained.

Keywords

FP-LAPW Heusler compounds Magnetic properties  Thermal properties 

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Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  • R. Mebsout
    • 1
  • S. Amari
    • 1
  • S. Méçabih
    • 1
  • B. Abbar
    • 1
    Email author
  • B. Bouhafs
    • 1
  1. 1.Laboratoire de Modélisation et de Simulation en Sciences des Matériaux, Département de Physique, Faculté des SciencesUniversité Djillali LiabèsSidi Bel AbbèsAlgeria

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