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| Datum vydání | Název | Autor |
| 2020 | An ab-initio investigation of the electronic structure, chemical bonding and optical properties of Ba2HgS5 semiconductor | Azam, Sikander A.; Khan, Saleem Ayaz; Khenata, Rabah; Naqib, S. H.; Abdiche, Ahmed; Uǧur, Şule; Bouhemadou, Abdelmadjid; Wang, Xiaotian |
| 2020 | Cation effect on electronic, optical and thermoelectric properties of perovskite oxynitrides: Density functional theory | Mahmood, 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 |
| 2020 | Co-existence of magnetic phases in two-dimensional MXene | Iqbal, Mehroz; Fatheema, Jameela; Noor, Qandeel; Rani, Malika; Mumtaz, Muhammad; Zheng, Renkui; Khan, Saleem Ayaz; Rizwan, Syed Ali |
| 2020 | A comprehensive computational and experimental analysis of stable ferromagnetism in layered 2D Nb-doped Ti3C2 MXene | Fatheema, Jameela; Fatima, Mahjabeen; Monir, Nasbah B.; Khan, Saleem Ayaz; Rizwan, Syed |
| 2019 | Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4 | Azam, Sikander A.; Mahboob, Mamoona; Ali, Sobia; Rani, Malika; Irfan, Muhammad; Wang, Xiaotian; Khan, Saleem Ayaz; Kanoun, Mohammed Benali; Goumri-Said, Souraya |
| 2019 | Density functional theory within spin-orbit coupling and hubbard correction for investigation of optoelectronic properties of the orthorhombic perovskite LaPdO3 | Goumri-Said, Souraya; Azam, Sikander A.; Khan, Saleem Ayaz; Kanoun, Mohammed Benali |
| 2022 | Dependence of the Electronic Structure of β-Si6 - zAlzOzN8 - z on the (Al,O) Concentration z and on the Temperature | Khan, Saleem Ayaz; Šipr, Ondřej; Vackář, Jiří; Minár, Jan |
| 2019 | DFT simulations of optoelectronic and elastic features of cubic samarium zirconate (Sm2Zr2O7) | Irfan, Muhammad; Azam, Sikander; Hussain, Safdar; Khan, Saleem Ayaz; Makhdoom, Madiha; Gul, Banat; Khan, Shoaib; Kityk, I. V.; Muhammad, Shabbir; Siddeeg, Saifeldin M. |
| 2017 | DFT studie optoelektronických a magnetických vlastností materiálů obsahujících diamantu podobné materiály Ag2FeSiS4, Li2FeSnS4 a Li2FeGeS4 | Azam, Sikander; Khan, Saleem Ayaz; Goumri-Said, Souraya |
| 2018 | Doping induced effect on optical and band structure properties of Sr2Si5N8 based phosphors: DFT approach | Azam, Sikander A.; Irfan, Muhammad; Khan, Saleem Ayaz; Ali,, Zaheer; Kityk, Iwan V.; Muhammad, Shabbir; Al-Sehemi, Abdullah Ghodran M. |
| 2019 | Effect of S and Se replacement on electronic and thermoelectric features of BaCu2GeQ4 (Q ¼ S, Se) chalcogenide crystals | Azam, Sikander A.; Irfan, Muhammad Faisal; Abbas, Zeesham; Khan, Saleem Ayaz; Kityk, Iwan V.; Kanwal, Tanzila; Sohail, Mohammad; Muhammad, Shabbir; Al-Sehemi, Abdullah Ghodran M. |
| 2022 | Effects of alloying chalcopyrite CuTlSe2 with Na on the electronic structure and thermoelectric coefficients: DFT investigation | Djelid, K.; Seddik, T.; Merabiha, O.; Batouche, M.; Khenata, R.; Bouhemadou, A.; Khan, Saleem Ayaz; Bin Omran, S. |
| 2019 | Elastic and optoelectronic properties of CaTa2O6 compounds: Cubic and orthorhombic phases | Subhan, Fazle; Azam, Sikander A.; Khan, Gulzar; Irfan, Muhammad Faisal; Muhammad, Shabbir; Al-Sehemi, Abdullah Ghodran M.; Naqib, S. H.; Khenata, Rabah; Khan, Saleem Ayaz; Kityk, Iwan V.; Amin, Bin |
| 2016 | Elastické a optoelektronické vlastnosti nových Ag3AuSe2 a Ag3AuTe2 polovodičů | Faizan, Mohd; Murtaza, Ghulam M.; Azam, Sikander; Khan, Saleem Ayaz; Mahmood, Asif; Yar, Abdullah |
| 2020 | Electronic structure and related optical, thermoelectric and dynamical properties of Lilianite-type Pb7Bi4Se13 : Ab-initio and Boltzmann transport theory | Azam, Sikander A.; Goumri-Said, Souraya; Khan, Saleem Ayaz; Ozisik, Haci; Deligöz, Engin; Kanoun, Mohammed Benali; Khan, Wilayat |
| 2018 | Electronic structure and thermoelectric properties of PbS1- xTex (x=0, 0.25, 0.50, 0.75, 1.0) alloys: Ab initio study | Khan, Saleem Ayaz; Azam, Sikander A. |
| 2020 | Electronic, elastic, thermodynamic and vibrational properties of Li6BeZrF12: Insights from DFT-based computer simulation | Serir, N.; Ckiker, F.; Khachai, Houari; Bouhemadou, Abdelmadjid; Khan, Saleem Ayaz; Ouahrani, Tarik; Azam, Sikander; Naqib, S. H.; Singh, Ajaya Kumar; Khenata, Rabah |
| 2020 | Electronic, optical and thermoelectric properties of new metal-rich homological selenides with palladium–indium: Density functional theory and Boltzmann transport model | Azam, Sikander A.; Goumri-Said, Souraya; Khan, Saleem Ayaz; Kanoun, Mohammed Benali |
| 2021 | Experimental and Computational Analysis of MnO2@V2C-MXene for Enhanced Energy Storage | Fatima, Mahjabeen; Zahra, Syedah Afsheen; Khan, Saleem Ayaz; Akinwande, Deji; Minár, Jan; Rizwan, Syed |
| 2019 | First-Principles Description of the Different Phases in the Li2NH Compound: Electronic Structure and Optical Properties | Makhdoom, Madiha; Jamil, Muhammad Imran; Azam, Sikander A.; Irfan, Muhammad; Abbas, Zeesham; Gul, Banat; Khan, Saleem Ayaz; Wang, Xiaotian |
