Structural, magneto-electronic and thermophysical properties of the new d0 quaternary heusler compounds KSrCZ (Z =P, As, Sb)

Authors

  • A. Taleb Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
  • A. Chahed Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
  • M. Boukli Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
  • H. Rozale Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
  • B. Amrani Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
  • M. Rahmoune Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
  • A. Sayade UCCS, CNRS-UMR 8181, Université d'Artois, Faculté des Sciences Jean Perrin, Rue Jean Souvraz, SP 18, 62307 Lens Cedex, France

DOI:

https://doi.org/10.31349/RevMexFis.66.265

Abstract

Investigation of band structure and thermo-physical response of the d0 new quaternary Heusler compounds KSrCZ (Z = P, As, Sb) within the frame work of density functional theory with full potential linearized augmented plane wave method has been analyzed. Results showed that type-Y3 is the most favorable atomic arrangement. All the compounds are found to be half-metallic ferromagnetic materials with an integer magnetic moment of 2.00 μB and a half-metallic gap EHM of 0.292, 0.234, and 0.351 eV, respectively. The half-metallicity of KSrCZ (Z = P, As, Sb) compounds can be kept in a quite large hydrostatic strain. Thermoelectric properties of the KSrCZ (Z = P, As, Sb) materials are additionally computed over an extensive variety of temperature and it is discovered that all compounds demonstrates higher figure of merit. The properties of half-metallicity and higher Seebeck coefficient makes these materials a promising candidates for thermoelectric and spintronic device applications.

 

Author Biographies

A. Taleb, Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

Département : Matériaux et Développement Durable

Faculté des sciences exactes

Université de Sidi Bel Abbes

A. Chahed, Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

Département : Matériaux et Développement Durable

Faculté des sciences exactes

Université de Sidi Bel Abbes

M. Boukli, Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

Département : Matériaux et Développement Durable

Faculté des sciences exactes

Université de Sidi Bel Abbes

H. Rozale, Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

Département : Matériaux et Développement Durable

Faculté des sciences exactes

Université de Sidi Bel Abbes

B. Amrani, Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

Département : Matériaux et Développement Durable

Faculté des sciences exactes

Université de Sidi Bel Abbes

M. Rahmoune, Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

Département : Matériaux et Développement Durable

Faculté des sciences exactes

Université de Sidi Bel Abbes

A. Sayade, UCCS, CNRS-UMR 8181, Université d'Artois, Faculté des Sciences Jean Perrin, Rue Jean Souvraz, SP 18, 62307 Lens Cedex, France

Université d'Artois, Faculté des Sciences Jean Perrin

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Published

2020-05-01

How to Cite

[1]
A. Taleb, “Structural, magneto-electronic and thermophysical properties of the new d0 quaternary heusler compounds KSrCZ (Z =P, As, Sb)”, Rev. Mex. Fís., vol. 66, no. 3 May-Jun, pp. 265–272, May 2020.