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
  • [21] Ab initio study of the structural, electronic, and magnetic properties of Co2FeGa and Co2FeSi and their future contribution to the building of quantum devices
    Oumsalem, Abdallah
    Bourezig, Yamina
    Nabi, Zakia
    Bouabdallah, Badra
    TURKISH JOURNAL OF ELECTRICAL ENGINEERING AND COMPUTER SCIENCES, 2018, 26 (03) : 1249 - 1260
  • [22] Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1-xSix Heusler Alloys: First-Principles Calculations
    Raia, M. Y.
    Masrour, R.
    Hamedoun, M.
    Kharbach, J.
    Rezzouk, A.
    Hourmatallah, A.
    Benzakour, N.
    Bouslykhane, K.
    JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2023, 36 (01) : 349 - 365
  • [23] Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations
    M. Y. Raïâ
    R. Masrour
    M. Hamedoun
    J. Kharbach
    A. Rezzouk
    A. Hourmatallah
    N. Benzakour
    K. Bouslykhane
    Journal of Superconductivity and Novel Magnetism, 2023, 36 : 349 - 365
  • [24] Pressure-induced Tunable Magnetism and Half-metallic Stability in Co2FeGa Heusler Alloy
    Gao, Qinxiang
    APPLIED MECHANICS AND MATERIALS II, PTS 1 AND 2, 2014, 477-478 : 1303 - 1306
  • [25] Controllable Structure and Magnetic Properties of Co2FeGa Films Prepared by Electrodeposition
    Wei, Heng
    Kou, Xinli
    JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2020, 167 (10)
  • [26] Magnetic properties of individual Co2FeGa Heusler nanoparticles studied at room temperature by a highly sensitive co-resonant cantilever sensor
    Koerner, Julia
    Reiche, Christopher F.
    Ghunaim, Rasha
    Fuge, Robert
    Hampel, Silke
    Buechner, Bernd
    Muehl, Thomas
    SCIENTIFIC REPORTS, 2017, 7
  • [27] Structural, magnetic, electronic, thermoelectric, optical and elastic properties of Co2Mn1-xTixGe Heusler alloys
    Raia, M. Y.
    Masrour, R.
    Jabar, A.
    Rezzouk, A.
    Hamedoun, M.
    Hourmatallah, A.
    Benzakour, N.
    Bouslykhane, K.
    Kharbach, J.
    CHEMICAL PHYSICS LETTERS, 2022, 790
  • [28] Magnetic properties of individual Co2FeGa Heusler nanoparticles studied at room temperature by a highly sensitive co-resonant cantilever sensor
    Julia Körner
    Christopher F. Reiche
    Rasha Ghunaim
    Robert Fuge
    Silke Hampel
    Bernd Büchner
    Thomas Mühl
    Scientific Reports, 7
  • [29] Investigation of structural stability, elastic properties, electronic structure and ferrimagnetic behavior of Mn2RhGe full-Heusler alloy
    Chehrouri, Mourad
    Doumi, Bendouma
    Mokaddem, Allel
    Mogulkoc, Yesim
    Berber, Mohamed
    Boudali, Abdelkader
    JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 722 : 564 - 568
  • [30] The Magnetic, Structural and Electronic Properties of Novel Y2FeSi Full-Heusler Alloy
    Gruszka, K.
    Bednarska, K.
    ACTA PHYSICA POLONICA A, 2019, 135 (02) : 107 - 109