Investigation of structural, elastic, electronic, magnetic and optical properties for the full Heusler alloy: Co2FeGa

被引:0
|
作者
Ramdane, O. [1 ]
Labidi, M. [1 ,2 ]
Mender, S. [1 ]
Labidi, S. [1 ]
Masrour, R. [3 ]
机构
[1] Badji Mokhtar Univ, Fac Sci, Dept Phys, LNCTS Lab, BP 12, Annaba 23000, Algeria
[2] Natl Higher Sch Technol & Engn Annaba, Annaba, Algeria
[3] Sidi Mohamed Ben Abdellah Univ, Fac Sci Dhar El Mahraz, Lab Solid Phys, BP 1796, Fes, Morocco
关键词
Heusler alloys; Wien2k; Ab-initio; Electronic properties;
D O I
10.1016/j.molstruc.2024.141028
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
By using the full potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). The physical properties such: structural, electronic, magnetic, optical and elastic properties for the full Heusler alloy Co2FeGa are investigated and discussed. The exchange-correlation potential was treated using two of approximations where the WC-GGA is used to calculate the stable state of the material for both Fm-3m and F43-m space groups from the FM, NM, and the AFM states by calculating all of their structural parameters from the lattice parameter a (& Aring;) to the enthalpy Delta Hf and to calculate also the elastic constants. The mBJ-GGA approximation used to calculate the electronic BS and the DOS. In last both of those approximations in addition to the GGA+U approximation are used to calculate the magnetic total (Mtot) and partial (Mco, MFe and MGa) moments. Our calculations and results are in good agreement with previous works.
引用
收藏
页数:10
相关论文
共 50 条
  • [31] Structural, elastic, electronic, and magnetic properties of new quaternary Heusler alloy PdCoMnGa and PdCoMnAl
    Moujri, H.
    Berber, M.
    Mebrek, M.
    Boudali, A.
    Ouahrani, T.
    INDIAN JOURNAL OF PHYSICS, 2022, 96 (04) : 1025 - 1035
  • [32] Structural, elastic, electronic, and magnetic properties of new quaternary Heusler alloy PdCoMnGa and PdCoMnAl
    Hayat Moujri
    Mohamed Berber
    Moued Mebrek
    Abdelkader Boudali
    Tarik Ouahrani
    Indian Journal of Physics, 2022, 96 : 1025 - 1035
  • [33] Electronic structure, optical and magnetic properties of Co2FeGe Heusler alloy films
    Uvarov, N. V.
    Kudryavtsev, Y. V.
    Kravets, A. F.
    Vovk, A. Ya.
    Borges, R. P.
    Godinho, M.
    Korenivski, V.
    JOURNAL OF APPLIED PHYSICS, 2012, 112 (06)
  • [34] Structural, elastic, electronic, and magnetic properties of Si-doped Co2MnGe full-Heusler type compounds
    Ozduran, M.
    Candan, A.
    Akbudak, S.
    Kushwaha, A. K.
    Iyigor, A.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 845
  • [35] Study of electronic, magnetic, optical and elastic properties of Cu2MnAl a gapless full Heusler compound
    Rai, D. P.
    Thapa, R. K.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2014, 612 : 355 - 360
  • [36] Study of electronic, magnetic, optical and elastic properties of Cu 2MnAl a gapless full Heusler compound
    Rai, D.P. (dibyaprakashrai@gmail.com), 1600, Elsevier Ltd (612):
  • [37] Effect of substitution of Co with Fe on the structural, electronic and magnetic properties of Heusler alloy Co2CrAl
    Nehra, Jagdish
    Lakshmi, N.
    Venugopalan, K.
    PHYSICA B-CONDENSED MATTER, 2015, 459 : 46 - 51
  • [38] Dynamic magnetic properties of Ni2FeGa Heusler alloy nanoparticles
    Yunli Xu
    Lei Liu
    Guangduo Lu
    Lizhi Yi
    Min Liu
    Hong-guang Piao
    Liqing Pan
    Journal of Nanoparticle Research, 2021, 23
  • [39] Structural, Elastic, Electronic, and Magnetic Properties of a New Full-Heusler Alloy Mn2MgGe: First-Principles Calculations
    Huijun Wan
    Weibo Yao
    Dongwen Zeng
    Jie Zhou
    Wen Ruan
    Lina Liu
    Yufeng Wen
    Journal of Superconductivity and Novel Magnetism, 2019, 32 : 3001 - 3008
  • [40] Structural, Elastic, Electronic, and Magnetic Properties of a New Full-Heusler Alloy Mn2MgGe: First-Principles Calculations
    Wan, Huijun
    Yao, Weibo
    Zeng, Dongwen
    Zhou, Jie
    Ruan, Wen
    Liu, Lina
    Wen, Yufeng
    JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2019, 32 (09) : 3001 - 3008