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Issue DateTitleAuthor(s)
2020Cation effect on electronic, optical and thermoelectric properties of perovskite oxynitrides: Density functional theoryMahmood, Amjid; Azam, Sikander A.; Irfan, Muhammad; Kamran, Muhammad Arshad; Alharbi, Thamer; Majid, Abdul; Iqbal, Muhammad Waqas; Muhammad, Shabbir; Al-Sehemi, Abdullah Ghodran M.; Khan, Saleem Ayaz; Goumri-Said, Souraya
2020Electronic, optical and thermoelectric properties of new metal-rich homological selenides with palladium–indium: Density functional theory and Boltzmann transport modelAzam, Sikander A.; Goumri-Said, Souraya; Khan, Saleem Ayaz; Kanoun, Mohammed Benali
2020Co-existence of magnetic phases in two-dimensional MXeneIqbal, Mehroz; Fatheema, Jameela; Noor, Qandeel; Rani, Malika; Mumtaz, Muhammad; Zheng, Renkui; Khan, Saleem Ayaz; Rizwan, Syed Ali
2020Electronic structure and related optical, thermoelectric and dynamical properties of Lilianite-type Pb7Bi4Se13 : Ab-initio and Boltzmann transport theoryAzam, Sikander A.; Goumri-Said, Souraya; Khan, Saleem Ayaz; Ozisik, Haci; Deligöz, Engin; Kanoun, Mohammed Benali; Khan, Wilayat
2020A comprehensive computational and experimental analysis of stable ferromagnetism in layered 2D Nb-doped Ti3C2 MXeneFatheema, Jameela; Fatima, Mahjabeen; Monir, Nasbah B.; Khan, Saleem Ayaz; Rizwan, Syed
2020Electronic, elastic, thermodynamic and vibrational properties of Li6BeZrF12: Insights from DFT-based computer simulationSerir, N.; Ckiker, F.; Khachai, Houari; Bouhemadou, Abdelmadjid; Khan, Saleem Ayaz; Ouahrani, Tarik; Azam, Sikander; Naqib, S. H.; Singh, Ajaya Kumar; Khenata, Rabah
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