Spin and Temperature Effects on the Electronic and Thermoelectric Response of LiCrZ (Z = Sb, Bi) Li-Based Half-Heusler Ferromagnetic

被引:0
|
作者
Y. Toual
S. Mouchou
A. Azouaoui
A. Harbi
M. Moutaabbid
A. Hourmatallah
N. Benzakour
K. Bouslykhane
机构
[1] Sidi Mohamed Ben Abdellah University,Laboratory of Solid Physics, Faculty of Sciences
[2] Ecole Normale Supérieure,Laboratory of Chemistry and Physics of Materials LCPM, Faculty of Sciences, Department of Chemistry
[3] University of Casablanca,undefined
来源
Journal of Superconductivity and Novel Magnetism | 2023年 / 36卷
关键词
DFT; Half-Heusler; LiCrZ (Z= Sb, Bi); Half metal; Thermoelectric properties;
D O I
暂无
中图分类号
学科分类号
摘要
In recent years, there has been great interest in research on half-Heusler thermoelectric and spintronic materials. For this purpose, we have studied spin and temperature effects on the electronic and thermoelectric properties of LiCrZ (Z = Sb, Bi) Li-based half-Heusler ferromagnetic using the density functional theory (DFT) in integration with the semi-classical Boltzmann transport theory (BTT). The α\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\alpha$$\end{document}-phase in a ferromagnetic configuration with a total magnetic moment of 4μB\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\mu _B$$\end{document} is more stable than the other phases for both compounds. The band structures and densities of spin-dependent state property curves are also discussed and confirmed for half-metallic behavior. The thermoelectric properties are also calculated, such as the Seebeck coefficient, electrical and electronic conductivity, and power factor. These properties make the compounds important for spintronic applications.
引用
收藏
页码:1403 / 1411
页数:8
相关论文
共 50 条
  • [21] Improving thermoelectric properties of ZrPtSn-based half-Heusler compound by Sb doping
    Chu-Kun Dai
    Qing-Feng Song
    Li Xie
    Rui-Heng Liu
    Sheng-Qiang Bai
    Li-Dong Chen
    RareMetals, 2021, 40 (10) : 2838 - 2846
  • [22] Improving thermoelectric properties of ZrPtSn-based half-Heusler compound by Sb doping
    Chu-Kun Dai
    Qing-Feng Song
    Li Xie
    Rui-Heng Liu
    Sheng-Qiang Bai
    Li-Dong Chen
    Rare Metals, 2021, 40 : 2838 - 2846
  • [23] Electronic structure and elastic properties of double half-Heusler thermoelectric materials MgXY2Z2 (X=Zr/Hf, Y=Pd/Pt, Z=Bi/Sb)
    Filanovich, A. N.
    Lukoyanov, A. V.
    Povzner, A. A.
    PHYSICA B-CONDENSED MATTER, 2023, 669
  • [24] Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds (vol 83, 085204, 2011)
    Lee, Mal-Soon
    Poudeu, Ferdinand P.
    Mahanti, S. D.
    PHYSICAL REVIEW B, 2011, 83 (15):
  • [25] High temperature thermoelectric properties of TiNiSn-based half-Heusler compounds
    Kim, Sung-Wng
    Kimura, Yoshisato
    Mishima, Yoshinao
    INTERMETALLICS, 2007, 15 (03) : 349 - 356
  • [26] Electronic structure and magnetism of binary Fe-based half-Heusler alloys Fe2Z (Z=In, Sn, Sb and As)
    Li, Jianqiang
    Meng, Fanbin
    Liu, Guodong
    Chen, Xueguang
    Luo Hongzhi
    Liu, Enke
    Wu, Guangheng
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2013, 331 : 82 - 87
  • [27] Structural, electronic, magnetic and vibrational properties of half-Heusler NaZrZ (Z = P, As, Sb) compounds Discussion
    Moradi, Mahmood
    Taheri, Nasrin
    Rostami, Mohammad
    PHYSICS LETTERS A, 2018, 382 (41) : 3004 - 3011
  • [28] Electronic and thermoelectric behaviour of XCaB (X = Li, Na, K) half-Heusler alloys under strain
    Das, Geetimallika
    Kalita, Bulumoni
    PHYSICA B-CONDENSED MATTER, 2024, 691
  • [29] Thermoelectric properties of doped topological half-Heusler LuPdBi1-xZx (Z = P, As, Sb) compounds
    Kumar, Narender
    Saini, Hardev S.
    Sheoran, Nisha
    Kashyap, Manish K.
    JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2024, 35 (11)
  • [30] Electronic structure, phonon stability, mechanical and high-temperature thermoelectric properties of Li-based quaternary Heusler alloys
    Singh, Jaspal
    Kaur, Kulwinder
    Islam, Ishtihadah
    Mir, Jan Mohammad
    Goyal, Megha
    Kaur, Tavneet
    Verma, S. S.
    Ali, Atif Mossad
    Khandy, Shakeel Ahmad
    CURRENT APPLIED PHYSICS, 2023, 50 (161-167) : 161 - 167