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Khenata, Rabah
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Publications (4/4 displayed)
- 2023Mechanical stability, electronic and magnetic properties of XZrAs (X=Cr,Mn,V) half Heusler compounds
- 2021First-principles investigation of half-metallic ferromagnetism of Fe2YSn (Y = Mn, Ti and V) Heusler alloys
- 2020Optical characteristics of dilute gallium phosphide bismide: promising material for near-infra photonic device applicationscitations
- 2015Ab initio method of optical investigations of CdS1−xTex alloys under quantum dots diameter effectcitations
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document
First-principles investigation of half-metallic ferromagnetism of Fe2YSn (Y = Mn, Ti and V) Heusler alloys
Abstract
In this paper, we use the first-principles calculations based on the density functional theory to investigate structural, electronic and magnetic properties of Fe2YSn with (Y = Mn, Ti and V). The generalized gradient approximation (GGA) method is used for calculations. The Cu2MnAl type structure is energetically more stable than the Hg2CuTi type structure. The negative formation energy is shown as the evidence of thermodynamic stability of the alloy. The calculated total spin moment is found as 3μB and 0μB at the equilibrium lattice constant for Fe2MnSn and Fe2TiSn respectively, which agrees with the Slater-Pauling rule of Mt= Zt-24. The study of electronic and magnetic properties proves that Fe2MnSn and Fe2TiSn full-Heusler alloys are complete half-metallic ferromagnetic materials.