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
  • [21] Electronic structure and magnetic properties of quaternary Heusler alloy Co2CrGa1-xGex (x=0-1)
    Seema, K.
    Kumar, Ranjan
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2015, 377 : 70 - 76
  • [22] Effect of Ni Substitution on the Structural, Magnetic, and Electronic Structure Properties of Gd0.4Tb0.6(Co1-xNix)2 Compounds
    Sikora, Marcin
    Bajorek, Anna
    Chrobak, Artur
    Deniszczyk, Jozef
    Ziolkowski, Grzegorz
    Chelkowska, Grazyna
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 23 (21)
  • [23] Multiferroics and electronic structure of (1-x)PbTiO3-xBi(Ni1/2Ti1/2)O3 thin films
    Zhao, Hanqing
    Wang, Jiaou
    Sun, Ce
    Chen, Jun
    Ablat, Abduleziz
    Muhemmed, Emin
    Ibrahim, Kurash
    Qiao, Shizhang
    Qiao, Lijie
    Xing, Xianran
    THIN SOLID FILMS, 2013, 542 : 155 - 159
  • [24] Electronic structure and optical properties of Sn2xGa2(1-x)O3 compounds
    Yan JinLiang
    Zhang YiJun
    SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2011, 54 (03) : 459 - 464
  • [25] The electronic structure and the ferromagnetic properties of Fe[CH3PO3]• H2O
    Yao, KL
    Li, YL
    Liu, ZL
    Qu, SH
    PHYSICA B-CONDENSED MATTER, 2005, 369 (1-4) : 123 - 128
  • [26] Composition and electronic structure of Zn7-xMxSb2O12 (M = Ni and Co) spinel compounds
    Lisboa, PN
    Vila, C
    Góes, MS
    Morilla-Santos, C
    Gama, L
    Longo, E
    Schreiner, WH
    Paiva-Santos, CO
    MATERIALS CHEMISTRY AND PHYSICS, 2004, 85 (2-3) : 377 - 382
  • [27] Electronic structure and optical properties of Sn2xGa2（1-x）O3 compounds
    YAN JinLiang & ZHANG YiJun School of Physics
    Science China(Physics,Mechanics & Astronomy), 2011, (03) : 459 - 464
  • [28] Theoretical Investigations on Electronic Structure, Structural Phase Stability and Optical Properties of Strontium Double Perovskites: Sr2AMoO6 (A=Mg, Zn)
    Rameshe, B.
    Gnanapoongothai, T.
    Shanmugapriya, K.
    Murugan, R.
    Palanivel, B.
    MATERIALS TODAY-PROCEEDINGS, 2016, 3 (10) : 4242 - 4248
  • [29] Electronic Structure and Magnetic Properties of ( Co1-x TMx) 3V2O8, ( TM= Mn, Mg and Zn) Compounds
    Jezierski, A.
    Kaczkowski, J.
    Szymczak, R.
    Szymczak, H.
    FERROELECTRICS, 2014, 461 (01) : 76 - 84
  • [30] Theoretical study of structural, electronic, elastic and optical properties of Mg1-xCrxS in ferromagnetic rock-salt structure*
    Semassel, Esma
    Abdelli, Zeyneb
    Meddour, Athmane
    Bourouis, Chahrazed
    Gous, Mohamad H.
    PHYSICA B-CONDENSED MATTER, 2023, 657
12345