Wyniki wyszukiwania - BazTech

Ograniczanie wyników

2 Materials Science Poland

Znaleziono wyników: 2

Liczba wyników na stronie

Wyniki wyszukiwania

Sortuj według:

Ogranicz wyniki do:

First-principles study of mechanical, vibrational and thermodynamic properties of magnetic XC compounds (X = Rb, Sr)

Lakdja A., Benzaidi I., Sayede A., Chahed A.

Materials Science Poland

2017

Vol. 35, No. 3

463--469

Lattice dynamic and mechanical properties of hypothetical RbC and SrC compounds were investigated using the ab-initio pseudopotential method and a linear response scheme. The lattice dynamics was studied in the framework of the density functional perturbation theory (DFPT). The dynamical and mechanical stability of the hypothetical RbC and SrC compounds was proved in their equilibrium B1 structure. In addition, the same stability was confirmed in the B3 phase. The thermodynamic properties were also investigated. They exhibited the same trend in both phases, and followed the Debye model. These results were confirmed in the ferromagnetic state, which makes the investigated compounds promising candidates in the spintronic field.

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.

Materials Science Poland

2016

Vol. 34, No. 4

905--915

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 CoMnYGa1-xAlx, CoMnYAl1-xInx and CoMnYGa1-xInx (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 (TC).