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Datum vydáníNázevAutor
2019Effect of S and Se replacement on electronic and thermoelectric features of BaCu2GeQ4 (Q ¼ S, Se) chalcogenide crystalsAzam, Sikander A.; Irfan, Muhammad Faisal; Abbas, Zeesham; Khan, Saleem Ayaz; Kityk, Iwan V.; Kanwal, Tanzila; Sohail, Mohammad; Muhammad, Shabbir; Al-Sehemi, Abdullah Ghodran M.
2020An ab-initio investigation of the electronic structure, chemical bonding and optical properties of Ba2HgS5 semiconductorAzam, Sikander A.; Khan, Saleem Ayaz; Khenata, Rabah; Naqib, S. H.; Abdiche, Ahmed; Uǧur, Şule; Bouhemadou, Abdelmadjid; Wang, Xiaotian
2019Density functional theory within spin-orbit coupling and hubbard correction for investigation of optoelectronic properties of the orthorhombic perovskite LaPdO3Goumri-Said, Souraya; Azam, Sikander A.; Khan, Saleem Ayaz; Kanoun, Mohammed Benali
2019Large magnetic gap at the Dirac point in Bi2Te3/MnBi2Te4 heterostructuresRienks, Emile D.L.; Wimmer, Sebastian; Sánchez-Barriga, Jaime; Caha, Ondřej; Mandal, Partha Sarathi; Růžička, J.; Ney, Andreas; Steiner, Hubert; Volobuev, Valentine V.; Groiß, Heiko; Albu, Mihaela; Kothleitner, Gerald; Michalička, Jan; Khan, Saleem Ayaz; Minár, Jan; Ebert, Hubert; Bauer, Guenther; Freyse, F.; Varykhalov, Andrei Yu; Rader, Oliver; Springholz, Gunther
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
2020Local geometry around B atoms in B/Si(111) from polarized x-ray absorption spectroscopyKhan, Saleem Ayaz; Vondráček, Martin; Blaha, Peter; Horáková, Kateřina; Minár, Jan; Šipr, Ondřej; Cháb, Vladimír
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
2019First-Principles Description of the Different Phases in the Li2NH Compound: Electronic Structure and Optical PropertiesMakhdoom, Madiha; Jamil, Muhammad Imran; Azam, Sikander A.; Irfan, Muhammad; Abbas, Zeesham; Gul, Banat; Khan, Saleem Ayaz; Wang, Xiaotian
2019Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4Azam, Sikander A.; Mahboob, Mamoona; Ali, Sobia; Rani, Malika; Irfan, Muhammad; Wang, Xiaotian; Khan, Saleem Ayaz; Kanoun, Mohammed Benali; Goumri-Said, Souraya