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| Datum vydání | Název | Autor |
| 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 |
| 2019 | Highly absorbent cubic structured Siliconmonochalcogenides: Promising materials for photovoltaic applications | Ul-Haq, Bakhtiar; AlFaify, S.; Ahmed, Rashid; Butt, Faheem K.; Shaari, Amiruddin; Khan, Saleem Ayaz; Laref, Amel; Chaudhry, Aijaz Rasool |
| 2017 | Interralationship between structural, optical and transport properties of renewable energy materials | Khan, Saleem Ayaz |
| 2018 | Influence of strain on specific features of MoX2 (X = S, Se, Te) monolayers | Ahmad, Iftikhar; Khan, Shujaat Ali; Idrees, Muhammad; Haneef, Muhammad; Shahid, Ismail; Din, Haleem Ud; Khan, Saleem Ayaz; Amin, Bin |
| 2019 | Large magnetic gap at the Dirac point in Bi2Te3/MnBi2Te4 heterostructures | Rienks, 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 |
| 2020 | Local geometry around B atoms in B/Si(111) from polarized x-ray absorption spectroscopy | Khan, Saleem Ayaz; Vondráček, Martin; Blaha, Peter; Horáková, Kateřina; Minár, Jan; Šipr, Ondřej; Cháb, Vladimír |
| 2016 | Magnetocrystalline anisotropy of FePt: A detailed view | Khan, Saleem Ayaz; Blaha, Peter; Ebert, Hubert; Minár, Jan; Šipr, Ondřej |
| 2022 | Nickel-adsorbed two-dimensional Nb2C MXene for enhanced energy storage applications | Zaheer, Ayesha; Zahra, Syedah Afsheen; Iqbal, Muhammad Z.; Mahmood, Asif; Khan, Saleem Ayaz; Rizwan, Syed |
| 2021 | Optoelectronic properties of Nd3+ doped CaTa2O6: Insights from the GGA plus U calculations | Azam, Sikander; Irfan, Muhammad; Abbas, Zeesham; Khan, Saleem Ayaz; Khenata, Rabah; Muhammad, Shabbir; Siddeeg, Saifeldin M.; Naqib, S. H.; Wang, Xiaotian |
| 2018 | Optoelektronická struktura a související transportní vlastnosti Ag2Sb2O6 a Cd2Sb2O7 | Irfan, Muhammad; Hussain, Safdar S.; Khan, Saleem Ayaz; Goumri-Said, Souraya; Azam, Sikander A. |
| 2017 | Polymorph fosfor SrSi2O2N2: Eu2 + optoelektronické vlastnosti pro vysoce efektivní LED: výpočty abinitio | Azam, Sikander A.; Khan, Saleem Ayaz; Goumri-Said, Souraya |
| 2017 | Předpokládané termoelektrické vlastnosti vrstevnatého XBi4S7 (X = Mn, Fe) Materiálu: Výpočty prvních zásad | Azam, Sikander; Khan, Saleem Ayaz; Goumri-Said, Souraya; Kanoun, Mohammed Benali |
| 2021 | Renormalization of the valence and conduction bands of (C6H5C2H4NH3)(2)PbI4 hybrid perovskite | Lee, Min-I; Khan, Saleem Ayaz; Mrezguia, Hela; Barragán, Ana; Nair, Maya N.; Khelidj, Hamza; Ksari, Younal; Giovanelli, Luca; Themlin, Jean-Marc; Lédée, Ferdinand; Trippé-Allard, Gaëlle; Deleporte, Emmanuelle; Taleb-Ibrahimi, Amina; Minár, Jan; Tejeda, Antonio |
| 2018 | Specific features of structural, electronic, optical and elastic properties of the cubic calcium pyroniobate Ca2Nb2O7 crystals | Irfan, Muhammad; Azam, Sikander A.; Hussain, Safdar S.; Khan, Saleem Ayaz; Zaheer, Ali; Kityk, Iwan V.; Muhammad, Shabbir; Al-Sehemi, Abdullah Ghodran M. |
| 2017 | Strukturální, elastické, optoelektronické a magnetické vlastnosti CdHo2S4 spinelu: první principová studie | Hatraf, I.; Merabiha, O.; Seddik, T.; Baltache, Hadj; Khenata, Rabah; Ahmed, Rashid; Khan, Saleem Ayaz; Bouhemadou, Abdelmadjid; Azam, Sikander A.; Omran, Saad Bin |
| 2017 | Šetření specifických vlastností sloučenin AE2ZnN2 (AE = Ca, Sr, Ba) od nepřímého do přímého pásma: Studie DFT | Basit, Abdul; Murtaza, Gulam; Mahmood, Asif; Khan, Saleem Ayaz; Aneel, M.; Yar, Abdullah; Wong, Kin Mun |
