Poster Structural, Elastic, Electronic and Magnetic Properties of the full Heusler Compound Ti2NiX X = (Al, Ga and In )

  • Abdelkader Boudali Laboratory of Physico-chemical Studies, University of Saida, Saida
  • Zemouli Mostefa Laboratory of Physico-chemical Studies, University of Saida, Saida
  • Tarik Ouahrani Laboratory of Physic theoric university of Tlemcen Algéria
  • Fatiha Saadaoui Laboratory of Physico-chemical Studies, University of Saida, Saida
  • Mohamed dris khodja Laboratory of Physico-chemical Studies, University of Saida, Saida

Abstract

In this article we will study the structural, elastic, electronic and magnetic properties of new Ti2-based Heulser alloys Ti2NiX(X = Al, Ga and In), using ab initio electronic structure calculations. The results show that these compounds exhibit a halfmetallicbehavior. The full-Heusler alloys show a Slater-Pauling behavior and the total spin magnetic moment per unit cell(Mt) following the rule Mt=Zt-24. The origins of the gap in these half-metallic alloys are well understood. It is found that thehalf-metallic properties of Ti2-based compounds are insensitive to the lattice distortion and a fully spin polarization can beobtained within a wide range of lattice parameters. Calculations of the total magnetic moment is 3.00 mB for a wide range ofmesh. Our results suggest that Ti2NiX (X = Al, Ga and In) are promising materials for spintronics applications in the futureThis is favorable in practical application.

Abstract

In this article we will study the structural, elastic, electronic and magnetic properties of new Ti2-based Heulser alloys Ti2NiX(X = Al, Ga and In), using ab initio electronic structure calculations. The results show that these compounds exhibit a halfmetallicbehavior. The full-Heusler alloys show a Slater-Pauling behavior and the total spin magnetic moment per unit cell(Mt) following the rule Mt=Zt-24. The origins of the gap in these half-metallic alloys are well understood. It is found that thehalf-metallic properties of Ti2-based compounds are insensitive to the lattice distortion and a fully spin polarization can beobtained within a wide range of lattice parameters. Calculations of the total magnetic moment is 3.00 mB for a wide range ofmesh. Our results suggest that Ti2NiX (X = Al, Ga and In) are promising materials for spintronics applications in the futureThis is favorable in practical application.

Published
2018-01-01