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

被引：1

作者：

Hamri, Bouabdallah ^{[1
]}

Hamri, Abdelkrim ^{[2
]}

Hamri, Aida ^{[3
]}

Hallouche, Abbes ^{[3
]}

Abbar, Boucif ^{[1
]}

机构：

[1] Djillali Liabes Univ Sidi Bel Abbes, Modelling & Simulat Mat Sci Lab, Sidi Bel Abbes 22000, Algeria

[2] Djillali Liabes Univ Sidi Bel Abbes, Physicochem Lab Adv Mat, Sidi Bel Abbes 22000, Algeria

[3] Djillali Liabes Univ Sidi Bel Abbes, Phys Lab Computat Mat, Sidi Bel Abbes 22000, Algeria

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2016年 / 30卷 / 12期

关键词：

FPLAPW method; magnetic properties; MN(2)VZ Z; GA; AL; PREDICTION; SI; 1ST-PRINCIPLES; COMPOUND; GE;

D O I：

10.1142/S0217979216500764

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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 angstrom but a metallic character would occur with an expansion of its lattice parameters to 6.85 angstrom.

引用

页数：9

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