Structural, electronic, magnetic, optical and thermoelectric properties of ferromagnetic double perovskites K2ScCoX6 (X = F, Cl): A first-principles study

被引：0
|
作者：
Tirth, Vineet [1 ,2 ]
Amina [3 ]
Kamran, Muhammad [4 ]
Alrefaee, Salhah Hamed [5 ]
Quraishi, A.M. [6 ]
Abduvalieva, Dilsora [7 ]
Almahri, Albandary [8 ]
Akhter, Naseem [9 ]
Elboughdiri, Noureddine [10 ]
Mohammed, Rawaa M. [11 ]
Algahtani, Ali [1 ,2 ]
Alqahtani, Hassan [12 ]
Hadia, N.M.A. [13 ]
Zaman, Abid [14 ]
机构：
[1] Central Labs, King Khalid University, AlQura'a, P.O. Box 960, Abha, Saudi Arabia
[2] Mechanical Engineering Department, College of Engineering, King Khalid University, Asir, Abha,61421, Saudi Arabia
[3] Department of Physics, Bacha Khan University Charsadda, Pakistan
[4] Department of Electronics, University of Peshawar, Peshawar,25120, Pakistan
[5] Department of Chemistry, College of Science, Taibah University, Al-Madina, Yanbu,30799, Saudi Arabia
[6] Department of Electrical Engineering, College of Engineering, Qassim University, Buraydah,51452, Saudi Arabia
[7] Department of Mathematics and Information Technologies, Tashkent State Pedagogical University, Bunyodkor Avenue, 27, Tashkent,100070, Uzbekistan
[8] Department of Chemistry, College of Science and Humanities in Prince Sattam Bin Abdulaziz University Al-Kharj, 11942, Saudi Arabia
[9] Department of Physics, College of Science, Qassim University, Buraydah,51452, Saudi Arabia
[10] Chemical Engineering Department, College of Engineering, University of Ha'il, P.O. Box 2440, Ha'il,81441, Saudi Arabia
[11] Ph.D in Clinical Microbiology, College of Nursing, Al-Mustaqbal University, Iraq
[12] Department of Mechanical Engineering, Taibah University, Medina,42353, Saudi Arabia
[13] Department of Physics, College of Science, Jouf University, Al-Jouf, Sakaka,2014, Saudi Arabia
[14] Department of Physics, Riphah International University Islamabad, 44000, Pakistan
来源：
Case Studies in Thermal Engineering | 2024年 / 64卷
关键词：
All Open Access; Gold;
D O I：
10.1016/j.csite.2024.105433
中图分类号：
学科分类号：
摘要：
45
引用
收藏
相关论文
共 50 条
  • [41] First-principles Calculations to Investigate Emerging Double Perovskites K2NaMoX6 (X=Cl, I) Compounds for Magnetic and Optoelectronic Applications
    Munir, Sheharyar
    Butt, Mehwish Khalid
    Aldaghfag, Shatha A.
    Misbah
    Yaseen, Muhammad
    Nasarullah
    Nazar, Mubashar
    Somaily, H. H.
    [J]. PHYSICA B-CONDENSED MATTER, 2022, 645
  • [42] Electronic, optical and thermoelectric properties of halide double perovskites Rb2AgInX6 (X = Cl, Br, I)
    Hnuna, Lai
    Pachuau, Z.
    [J]. PHYSICA SCRIPTA, 2023, 98 (03)
  • [43] Improved thermoelectric, thermodynamic, and optical properties performance of double perovskites A2SnBr6 (A = Cs,K,Rb) from first-principles calculations
    El Rharib, A.
    Amine, A.
    Oukerroum, A.
    Kinani, M. A.
    Mir, Y.
    Zazoui, M.
    [J]. COMPUTATIONAL CONDENSED MATTER, 2022, 33
  • [44] First-principles study on the mechanical, electronic and optical properties of double halide perovskite Cs2TlSbX6 (X = Cl, Br, I)
    Tang, Tianyu
    Hu, Deyuan
    Zhao, Xianhao
    Li, Li
    Tang, Yanlin
    [J]. PHYSICA SCRIPTA, 2022, 97 (12)
  • [45] First-principles study of electron doping and disorder effects on electronic and magnetic properties in Sr2-xNdxFeMoO6 double perovskites
    Zhu, X. F.
    Li, Q. F.
    Chen, L. F.
    [J]. SOLID STATE COMMUNICATIONS, 2007, 144 (5-6) : 230 - 235
  • [46] Exploring the structural, phononic, electronic, magnetic, optical, and thermoelectric properties of Pb-free vanadium-based double perovskites using the first-principles approach for optoelectronic and thermoelectric applications
    Shah, Syed Zuhair Abbas
    Niaz, Shanawer
    Nasir, Tabassum
    Ramay, Shahid M.
    [J]. SOLAR ENERGY, 2022, 240 : 27 - 37
  • [47] Predicting the electronic, optical, and thermometric properties of novel K2LiSbX6 (X = Cl, Br, I) semiconductors: A first-principles study
    Iqbal, M. Waqas
    Tehseen, Arzoo
    Manzoor, Mumtaz
    Asghar, Mazia
    Sadique, Iqra
    Wabaidur, Saikh Mohammad
    Tawfeek, Ahmed M.
    Ibad-ur-Rehman
    Aslam, Muhammad
    [J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2024, 1238
  • [48] First-principles calculations of structural, electronic, magnetic, thermoelectric, and thermodynamic properties of BaMn2P2 in the Anti and ferromagnetic phase
    Bibi, Robeen
    Zada, Zeshan
    Khan, Abdul Ahad
    Azam, Sikander
    Irfan, Muhammad
    Ismail, Muhammad
    Ul Haq, Bakhtiar
    Ahmad, Manzoor
    Khan, Saleem Ayaz
    [J]. JOURNAL OF SOLID STATE CHEMISTRY, 2021, 302
  • [49] Electronic and thermoelectric properties of Janus AsSeX (X = Cl, Br, I) monolayers: A first-principles study
    Luo, Xin
    Pan, Lu
    Zhang, Tian
    Hu, Cui-E
    Cheng, Yan
    Geng, Hua-Yun
    [J]. MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2023, 166
  • [50] Investigation of structural, elastic, electronic, and optical properties of lead-free double perovskites Cs2XBeBr6 (X = Ge, Sn): a first-principles DFT study
    Caid, Messaoud
    Rached, Habib
    Rached, Djamel
    Rached, Youcef
    [J]. JOURNAL OF MOLECULAR MODELING, 2024, 30 (10)
12345