First principles insight into Cs<sub>2</sub>YZnX<sub>6</sub> (X = Br, I) double perovskite materials for optoelectronic and thermoelectric device applications
Abid ZamanDepartment of Physics, Riphah International University, Islamabad 44000, PakistanSalhah Hamed AlrefaeeDepartment of Chemistry, College of Science, Taibah University, Yanbu-30799, Madinah, Saudi ArabiaMuawya ElhadiDepartment of Physics, Faculty of Science and Humanities, Shaqra University, P. O. Box 1040, Ad-Dawadimi 11911, Saudi ArabiaPervaiz AhmadDepartment of Physics, College of Science and Humanities, Prince Sattam Bin Abdulaziz University, P.O. Box 173, Al-Kharj 11942, Saudi ArabiaMukhlisa SoliyevaDepartment of Physics and Teaching Methods, Tashkent State Pedagogical University, Tashkent, UzbekistanNaseem AkhterDepartment of Physics, College of Science, Qassim University, Buraydah-51452, Saudi ArabiaNoureddine ElboughdiriChemical Engineering Department, College of Engineering, University of Ha’il, P.O. Box 2440, Ha'il 81441, Saudi ArabiaVineet TirthCentre for Engineering and Technology Innovations, King Khalid University, Abha 61421, Asir, Kingdom of Saudi ArabiaAli AlgahtaniMechanical Engineering Department, College of Engineering, King Khalid University, Abha 61421, Asir, Kingdom of Saudi ArabiaAmnah Mohammed AlsuhaibaniDepartment of Sports Health, College of Sport Sciences & Physical Activity, Princess Nourah bint Abdulrahman University, PO Box 84428, Riyadh 11671, Saudi ArabiaMoamen S. RefatDepartment of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia
ABI
Аннотация
In this study, we utilize first-principles calculations based on density functional theory (DFT) to examine the structural, electronic, mechanical, optical, and thermoelectric properties of Cs 2 YZnX 6 (X = Br, I) materials.
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