Structural Stability, Electronic Structure, and Ferromagnetic Properties of Zn1/2Ni1/2O Alloy

被引：0
|
作者：
Hayat Moujri
Abdelkader Boudali
Bendouma Doumi
Mohammed Fliyou
Said Ouaskit
机构：
[1] Hassan II University of Casablanca,Laboratory of the Condensed Matter Physics, Faculty of Sciences Ben M’Sik
[2] Dr. Tahar Moulay University of Saida,Laboratory of Physico
[3] Dr. Tahar Moulay University of Saida,Chemical Studies
[4] Ecole Normale Supérieure,Faculty of Sciences, Department of Physics
来源：
Journal of Superconductivity and Novel Magnetism | 2017年 / 30卷
关键词：
FP-LAPW method; Elastic constants; Electronic structure; Half-metallic ferromagnetism;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
In this work, we have studied the structural, elastic, and electronic properties of Zn 1/2Ni 1/2O alloy, using the full-potential linearized augmented plane-wave (FP-LAPW) approach within the first-principles calculations of density functional theory. The results of structural and anisotropic parameters revealed that Zn 1/2Ni 1/2O is anisotropic and it is mechanically stable in the tetragonal structure at the equilibrium lattice constant. The electronic structure of Zn 1/2Ni 1/2O exhibits a half-metallic ferromagnetic (HMF) character with an HMF gap of 2.5 eV. The magnetic moment of the alloy is 2 μB, which means that Zn 1/2Ni 1/2O is a right half-metallic ferromagnet.
引用
收藏
页码：3247 / 3255
页数：8
相关论文
共 50 条
  • [1] Structural Stability, Electronic Structure, and Ferromagnetic Properties of Zn1/2Ni1/2O Alloy
    Moujri, Hayat
    Boudali, Abdelkader
    Doumi, Bendouma
    Fliyou, Mohammed
    Ouaskit, Said
    JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2017, 30 (11) : 3247 - 3255
  • [2] Structural, electronic and optical properties of Zn1−xZrxO nanotubes: first principles study
    M. Shahrokhi
    R. Moradian
    Indian Journal of Physics, 2015, 89 : 249 - 256
  • [3] First-principles study on the electronic structure and the ferromagnetic properties of NIT-2-O1
    Zou, WD
    Liu, ZL
    Yao, KL
    PHYSICA B-CONDENSED MATTER, 2003, 337 (1-4) : 298 - 302
  • [4] Comparative structural, optical, and dielectric studies of Zn1-xMnx/2Ax/2O (A = Ni, Co and x=0.24) nanoparticles
    Zaid, M.
    Altowairqi, Y.
    Majid, S. S.
    Somvanshi, Anand
    Shariq, Mohammad
    Ali, Syed Kashif
    Ashraf, S. S.
    Khan, Afroz
    Ahmad, Naseem
    APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2022, 128 (11):
  • [5] Structural, Elastic, Electronic, and Ferromagnetic Properties of the Alloys Ga1/2Cr1/2As
    Abdelkader Boudali
    Zemouli Mostefa
    Fatiha Saadaoui
    Mohamed dris khodja
    Journal of Superconductivity and Novel Magnetism, 2016, 29 : 2337 - 2343
  • [6] Structural, Elastic, Electronic, and Ferromagnetic Properties of the Alloys Ga1/2Cr1/2As
    Boudali, Abdelkader
    Mostefa, Zemouli
    Saadaoui, Fatiha
    Khodja, Mohamed Dris
    JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2016, 29 (09) : 2337 - 2343
  • [7] La-Driven Morphotrophic Phase Boundary in the Bi(Zn1/2Ti1/2)O3-La(Zn1/2Ti1/2)O3-PbTiO3 Solid Solution
    Cooper, Valentino R.
    Morris, James R.
    Takagi, Shigeyuki
    Singh, David J.
    CHEMISTRY OF MATERIALS, 2012, 24 (22) : 4477 - 4482
  • [8] Theoretical study of structural, electronic and thermal properties of Zn1-xBexS ternary alloy
    Hacini, K.
    Ghemid, S.
    Meradji, H.
    Hassan, F. El Haj
    COMPUTATIONAL MATERIALS SCIENCE, 2011, 50 (11) : 3080 - 3084
  • [9] Structural stability, electronic structure and magnetic properties of the new hypothetical half-metallic ferromagnetic full-Heusler alloy CoNiMnSi
    Elahmar, M. H.
    Rached, H.
    Rached, D.
    Benalia, S.
    Khenata, R.
    Biskri, Z. E.
    Bin Omran, S.
    MATERIALS SCIENCE-POLAND, 2016, 34 (01): : 85 - 93
  • [10] Structural, electronic and elastic properties of Zn3As2
    Kaur, M.
    Kabra, K.
    Kumar, R.
    Sharma, B. K.
    Sharma, G.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 709 : 179 - 186
12345