The effect of pressure and alloying on half-metallicity of quaternary Heusler compounds CoMnYZ (Z = Al, Ga, and In)

Rahmoune, M.; Chahed, A.; Amar, A.; Rozale, H.; Lakdja, A.; Benhelal, O.; Sayede, A.

doi:10.1515/msp-2016-0120

Artykuł - szczegóły

Tytuł artykułu

The effect of pressure and alloying on half-metallicity of quaternary Heusler compounds CoMnYZ (Z = Al, Ga, and In)

Autorzy

Rahmoune M. , Chahed A. , Amar A. , Rozale H. , Lakdja A. , Benhelal O. , Sayede A.

Wybrane pełne teksty z tego czasopisma

Identyfikatory

DOI

10.1515/msp-2016-0120

Warianty tytułu

Języki publikacji

Abstrakty

In this work, first-principles calculations of the structural, electronic and magnetic properties of Heusler alloys CoMnYAl, CoMnYGa and CoMnYIn are presented. The full potential linearized augmented plane waves (FP-LAPW) method based on the density functional theory (DFT) has been applied. The structural results showed that CoMnYZ (Z = Al, Ga, In) compounds in the stable structure of type 1+FM were true half-metallic (HM) ferromagnets. The minority (half-metallic) band gaps were found to be 0.51 (0.158), 0.59 (0.294), and 0.54 (0.195) eV for Z = Al, Ga, and In, respectively. The characteristics of energy bands and origin of minority band gaps were also studied. In addition, the effect of volumetric and tetragonal strain on HM character was studied. We also investigated the structural, electronic and magnetic properties of the doped Heusler alloys CoMnYGa_1-xAl_x, CoMnYAl_1-xIn_x and CoMnYGa_1-xIn_x (x = 0, 0.25, 0.5, 0.75, 1). The composition dependence of the lattice parameters obeys Vegard’s law. All alloy compositions exhibit HM ferromagnetic behavior with a high Curie temperature (T_C).

Słowa kluczowe

density functional theory quaternary Heusler compounds half-metallic ferromagnetic magnetism

Wydawca

De Gruyter

Czasopismo

Materials Science Poland

Rocznik

2016

Tom

Vol. 34, No. 4

Strony

905--915

Opis fizyczny

Bibliogr. 40 poz., rys., tab.

Twórcy

autor

Rahmoune M.

rahmounemohammed@yahoo.fr

Condensed Matter and Sustainable Development Laboratory, University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

autor

Chahed A.

Condensed Matter and Sustainable Development Laboratory, University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

autor

Amar A.

Condensed Matter and Sustainable Development Laboratory, University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

autor

Rozale H.

Condensed Matter and Sustainable Development Laboratory, University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

autor

Lakdja A.

Condensed Matter and Sustainable Development Laboratory, University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

autor

Benhelal O.

Condensed Matter and Sustainable Development Laboratory, University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

autor

Sayede A.

UCCS, CNRS-UMR 8181, Universite d’Artois, Facult ´ e des Sciences Jean Perrin, Rue Jean Souvraz, SP 18, ´ 62307 Lens Cedex, France

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Uwagi

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę (zadania 2017).

Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-cd167488-02ed-44c8-9e30-4f02a7715974