Electronic structure and magnetic properties investigation of cubic Fe3O4

被引：3
|
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
收藏
页码：159 / 162
页数：4
相关论文
共 50 条
  • [41] Electronic structure and charge ordering in magnetite: implications for the Fe3O4 (001)-water interface
    Kovacs, Sandor A.
    Lo, Cynthia S.
    MOLECULAR SIMULATION, 2010, 36 (15) : 1289 - 1296
  • [42] Fabrication and magnetic properties of Fe3O4 nanobranches via a simple solvothermal method
    Zi, Z. F.
    Liu, Y. N.
    Liu, Q. C.
    Dai, J. M.
    Sun, Y. P.
    ADVANCED MATERIALS AND STRUCTURES, PTS 1 AND 2, 2011, 335-336 : 934 - +
  • [43] Influence of Magnetic Field and Temperature on the Synthesis and Colloidal and Chemical Properties of Fe3O4
    S. A. Chulovskaya
    K. N. Zheleznov
    O. V. Zemtsova
    Colloid Journal, 2003, 65 : 786 - 790
  • [44] Synthesis and Investigation of New Vitreous Materials with Two Magnetic Subsystems (Fe3O4 and MnxOy)
    O. A. Pshenko
    T. V. Antropova
    L. N. Kurilenko
    I. G. Polyakova
    I. N. Anfimova
    Glass Physics and Chemistry, 2023, 49 : 256 - 263
  • [45] Magnetic cation distribution in a nanocrystalline Fe3O4 spinel
    Somogyvári, Z
    Sváb, E
    Mészáros, G
    Krezhov, K
    Konstantinov, P
    Ungár, T
    Gubicza, J
    EPDIC 7: EUROPEAN POWDER DIFFRACTION, PTS 1 AND 2, 2001, 378-3 : 771 - 776
  • [46] Synthesis and Investigation of New Vitreous Materials with Two Magnetic Subsystems (Fe3O4 and MnxOy)
    Pshenko, O. A.
    Antropova, T. V.
    Kurilenko, L. N.
    Polyakova, I. G.
    Anfimova, I. N.
    GLASS PHYSICS AND CHEMISTRY, 2023, 49 (03) : 256 - 263
  • [47] Synthesis by the solution combustion process and magnetic properties of iron oxide (Fe3O4 and α-Fe2O3) particles
    Juliano Toniolo
    Antonio S. Takimi
    Mônica J. Andrade
    Renato Bonadiman
    Carlos P. Bergmann
    Journal of Materials Science, 2007, 42 : 4785 - 4791
  • [48] Interface Phenomena and Magnetic Hyperthemia of Fe3O4 Nanoparticles
    Alves, Mirela B.
    Almeida, Adriele A.
    Tancredi, Pablo
    Muraca, Diego
    2024 IEEE INTERNATIONAL MAGNETIC CONFERENCE-SHORT PAPERS, INTERMAG SHORT PAPERS, 2024,
  • [49] Cohesive properties of PbBi/Fe3O4 and PbBi/(Fe,Cr)3O4 interfaces
    Sun, L.
    Deng, P.
    Zhao, J.
    Gong, H. R.
    Liang, C. P.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 24 (11) : 6732 - 6741
  • [50] Photodarkening effect and optical properties of nanocomposite material polymer/Fe3O4 magnetic nanoparticles
    Laikhtman, A.
    Harea, D.
    Axelevitch, A.
    Meshalkin, A.
    FOURTH CONFERENCE ON SENSORS, MEMS, AND ELECTRO-OPTIC SYSTEMS, 2017, 10036
12345