First principle study of a new half-metallic ferrimagnetic full-Heusler alloy Ti₂VPb

Abstract

In this paper, we performed an ab initio calculation of the different properties of the full-Heusler alloy Ti2VPb which is reported for the first time using the WIEN2k implementation of the full potential linearized augmented plane wave (FPLAPW) scheme. In order to study this compound for magneto-electronic applications we used the generalized gradient approximation (GGA) approximation for its mechanical properties but the MBJ-GGA to better investigate the electronic properties. Our results show that the Ti2VPb compound exhibits half-metallicity at its equilibrium lattice 6.548 Å but a metallic character would occur with an expansion of its lattice parameters to 6.85 Å.

Investigations on Electronic and Magnetic Properties along with Martensitic Transformation in Ti2CoGa1-xCux Alloy

“…Ti 2 -based Heusler compounds, as a kind of the Heusler materials, have attracted widely attention due to their multiple function such as magnetic shape memory behavior, half-metallicity and thermodynamic properties etc. [6][7][8][9][10][11][12][13][14][15][16]. Among them, some alloys combine the tetragonal distortion with a large magnetic moment and high Curie temperature [17], especially, some of them have synthesized in experiment [18].…”