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Probing the physical properties of M<sub>2</sub>LiCeF<sub>6</sub> (M = Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework

Nasir RahmanDepartment of Physics, University of Lakki Marwat, 28420, Lakki Marwat, KPK, PakistanAbdur RaufCollege of Physics and Optoelectronics Engineering, Shenzhen University, Shenzhen 518060, Guangdong, P. R ChinaMudasser HusainDepartment of Physics, University of Lakki Marwat, 28420, Lakki Marwat, KPK, PakistanNourreddine SfinaCollege of Sciences and Arts in Mahayel Asir, Department of Physics, King Khalid University, Abha, Saudi ArabiaVineet TirthMechanical Engineering Department, College of Engineering, King Khalid University, Abha 61421, Kingdom of Saudi ArabiaMohammad SohailDepartment of Physics, University of Lakki Marwat, 28420, Lakki Marwat, KPK, PakistanSattam Al OtaibiDepartment of Physics, University of Lakki Marwat, 28420, Lakki Marwat, KPK, PakistanAhmed Azzouz‐RachedMagnetic Materials Laboratory, Faculty of Exact Sciences, Djillali Liabes University of Sidi Bel-Abbes, AlgeriaG. MurtazaDepartment of Physics, Islamia College University, Peshawar, KPK, PakistanAbid Ali KhanDepartment of Chemical Sciences, University of Lakki Marwat, 28420, Lakki Marwat, KPK, PakistanShaukat Ali KhattakDepartment of Physics, Abdul Wali Khan University, Mardan, KPK, PakistanAurangzeb KhanDepartment of Chemical Sciences, University of Lakki Marwat, 28420, Lakki Marwat, KPK, Pakistan
2023en
ABI

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Herein, the optoelectronic, structural, thermoelectric, and elastic characteristics of M 2 LiCeF 6 (M = Rb and Cs) double perovskite compounds were investigated using ab initio modeling in the DFT framework.

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