Browsing by Author Khan, Saleem Ayaz

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Issue DateTitleAuthor(s)
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
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
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
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
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
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
2019DFT 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.
2017DFT studie optoelektronických a magnetických vlastností materiálů obsahujících diamantu podobné materiály Ag2FeSiS4, Li2FeSnS4 a Li2FeGeS4Azam, Sikander; Khan, Saleem Ayaz; Goumri-Said, Souraya
2018Doping induced effect on optical and band structure properties of Sr2Si5N8 based phosphors: DFT approachAzam, Sikander A.; Irfan, Muhammad; Khan, Saleem Ayaz; Ali,, Zaheer; Kityk, Iwan V.; Muhammad, Shabbir; Al-Sehemi, Abdullah Ghodran M.
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.
2019Elastic and optoelectronic properties of CaTa2O6 compounds: Cubic and orthorhombic phasesSubhan, 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
2016Elastické a optoelektronické vlastnosti nových Ag3AuSe2 a Ag3AuTe2 polovodičůFaizan, Mohd; Murtaza, Ghulam M.; Azam, Sikander; Khan, Saleem Ayaz; Mahmood, Asif; Yar, Abdullah
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
2018Electronic structure and thermoelectric properties of PbS1- xTex (x=0, 0.25, 0.50, 0.75, 1.0) alloys: Ab initio studyKhan, Saleem Ayaz; Azam, Sikander A.
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
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
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
2019Highly absorbent cubic structured Siliconmonochalcogenides: Promising materials for photovoltaic applicationsUl-Haq, Bakhtiar; AlFaify, S.; Ahmed, Rashid; Butt, Faheem K.; Shaari, Amiruddin; Khan, Saleem Ayaz; Laref, Amel; Chaudhry, Aijaz Rasool
2017Interralationship between structural, optical and transport properties of renewable energy materialsKhan, Saleem Ayaz
2018Influence of strain on specific features of MoX2 (X = S, Se, Te) monolayersAhmad, Iftikhar; Khan, Shujaat Ali; Idrees, Muhammad; Haneef, Muhammad; Shahid, Ismail; Din, Haleem Ud; Khan, Saleem Ayaz; Amin, Bin