Electronic, magnetic properties and pressure-induced phase transition of new D019 Fe2MnSn Heusler alloy

被引：1

作者：

Bouhamou, I ^{[1
]}

Abbassa, H. ^{[1
]}

Abbes, C. ^{[1
]}

Boukortt, A. ^{[1
]}

Abbes, E. H. ^{[1
]}

Benbedra, A. ^{[1
]}

机构：

[1] Abdelhamid Ibn Badis Univ Mostaganem, Mostaganem, Algeria

来源：

MATERIALS PHYSICS AND MECHANICS | 2023年 / 51卷 / 06期

关键词：

Full Heusler; electronic; magnetic; FP-LAPW calculations; GENERALIZED GRADIENT APPROXIMATION; MEAN-FIELD; AB-INITIO; EXCHANGE; SOLIDS;

D O I：

10.18149/MPM.5162023_6

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using ab-initio calculations based on density functional theory (DFT) with the generalized gradient approximation (GGA), structural, electronic and magnetic properties of Fe2MnSn full Heusler alloy are calculated within the framework to describe the effect of hydrostatic stress. The total system energy optimization indicates that the ground state corresponds to the hexagonal (D0(19)) structure in ferromagnetic (FM) state. The compound undergoes a structural stress-induced phase transitions under pressure of 7 GPa. The total magnetic moment at the optimized lattice parameters is found 7.19 mu B, which does not follow the Slater-Pauling rule. The material tends to rapidly lose its spin polarization under 10 GPa hydrostatic stress.

引用

页码：65 / 75

页数：11

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