Electronic structure and magnetic properties investigation of cubic Fe3O4

被引：4

作者：

Islam, Riyajul ^{[1
]}

Borah, J. P. ^{[1
]}

机构：

[1] Natl Inst Technol Nagaland, Dept Phys, Dimapur 797103, Nagaland, India

来源：

MATERIALS TODAY-PROCEEDINGS | 2022年 / 68卷

关键词：

Magnetite; Crystal field theory; Spin-orbit coupling; Magnetocrystalline anisotropy energy; MAGNETOCRYSTALLINE ANISOTROPY; BAND-STRUCTURE;

D O I：

10.1016/j.matpr.2022.06.064

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present the results of ab initio calculations of cubic magnetite Fe3O4, investigated by using the full -potential linearized augmented plane wave (FP-LAPW) + local orbitals (lo) method within the limit of density functional theory (DFT). The computed density of states (DOS) shows the distribution of cations in the octahedral sites give rise to half-metallic behavior. The magnetocrystalline anisotropy energy (MAE) computed in this work with generalized gradient approximation (GGA) by both the total energy calculations and magnetic force theorem are equal to-2.923 x 10(4) J/m(3) and-2.021 x 10(4 )J/m(3) respec-tively comparable to the experimentally observed value of-2.0 x 10(4) J/m(3). (C) 2022 Elsevier Ltd. All rights reserved.

引用

页码：159 / 162

页数：4

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