| First-principles investigation on the structural, electronic, mechanical and optical properties of silver based perovskite AgXCl3 (X= Ca, Sr) UA Khan, NU Khan, AH Alghtani, V Tirth, SJ Ahmed, M Sajjad, ... Journal of Materials Research and Technology 20, 3296-3305, 2022 | 51 | 2022 |
| The structural, electronic and optical response of IIA–VIA compounds through the modified Becke–Johnson potential R Ali, S Mohammad, H Ullah, SA Khan, H Uddin, M Khan, NU Khan Physica B: Condensed Matter 410, 93-98, 2013 | 46 | 2013 |
| Ab-initio study of fundamental properties of ternary ZnO1− xSx alloys by using special quasi-random structures M Rashid, NA Noor, B Sabir, S Ali, M Sajjad, F Hussain, NU Khan, B Amin, ... Computational materials science 91, 285-291, 2014 | 39 | 2014 |
| First-principle insight into the structural, electronic, elastic and optical properties of Cs-based double perovskites Cs 2 XCrCl 6 (X= K, Na) JY Al-Humaidi, A Ullah, NU Khan, J Iqbal, S Khan, A Algahtani, V Tirth, ... RSC advances 13 (30), 20966-20974, 2023 | 35 | 2023 |
| Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl 3 (X= Rb, Cs): a first-principles calculations NU Khan, UA Khan, V Tirth, JY Al-Humaidi, MS Refat, A Algahtani, ... RSC advances 13 (9), 6199-6209, 2023 | 26 | 2023 |
| Insight into structural, electronic, optical and elastic properties of double perovskites Rb2XCrCl6 (X= K, Na) via DFT study NU Khan, UA Khan, A Zaman, A Algahtani, JY Al-Humaidi, V Tirth, ... Journal of Physics and Chemistry of Solids 181, 111479, 2023 | 20 | 2023 |
| Investigation of structural, opto-electronic, mechanical and thermoelectric properties of Rb-based fluoro-perovskites RbXF3 (X= Rh, Os, Ir) via first-principles calculations UA Khan, MR Sarker, NU Khan, S Khan, JY Al-Humaidi, V Tirth, MS Refat, ... Journal of Saudi Chemical Society 27 (3), 101627, 2023 | 20 | 2023 |
| Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF3 (M = Rb and Cs) via Density Functional Theory Computation Abdullah, UA Khan, S Khan, SJ Ahmed, NU Khan, H Ullah, S Naz, ... ACS omega 7 (51), 47662-47670, 2022 | 15 | 2022 |
| Boosting electrostriction and strain performance in bismuth sodium titanate-based ceramics via introducing low tolerance factor chemical modifier NU Khan, A Ullah, A Ullah, MY Khan, TH Kim, IW Kim, CW Ahn Sensors and Actuators A: Physical 291, 156-166, 2019 | 14 | 2019 |
| Exploring the structural, opto-electronics and elastic properties of fluoro-perovskites KXF3 (X= Ir, Rh): A first-principles study A Algahtani, NU Khan, J Iqbal, V Tirth, S Abdullaev, MS Refat, ... Inorganic Chemistry Communications 158, 111542, 2023 | 12 | 2023 |
| Detail computational study about the structural, electronic, optical, and mechanical properties of RbVX 3 (Cl, Br, I) halide perovskite materials NU Khan, J Iqbal, A Algahtani, JY Al-Humaidi, V Tirth, K Safeen, ... RSC advances 13 (33), 22958-22965, 2023 | 8 | 2023 |
| The lead-free double perovskites X2CuBiF6 (X= Na, Cs): A promising class of materials for optoelectronic applications M Husain, N Rahman, A Azzouz-Rached, N Sfina, KM Abualnaja, ... Inorganic Chemistry Communications 164, 112424, 2024 | 7 | 2024 |
| Large electrostrictive response via tailoring ergodic relaxor state in Bi1/2Na1/2TiO3-based ceramics with Bi (Mn1/2Ce1/2) O3 end-member NU Khan, WS Yun, A Ullah, S Ali, M Sheeraz, A Ullah, IW Kim, CW Ahn Ceramics International 50 (6), 8790-8799, 2024 | 7 | 2024 |
| First-Principles Insights into Structural, Optoelectronic, and Elastic Properties of Fluoro-Perovskites KXF3 (X = Ru, Os) JY Al-Humaidi, J Iqbal, Abdullah, NU Khan, S Rasool, A Algahtani, V Tirth, ... ACS omega 8 (37), 33622-33628, 2023 | 5 | 2023 |
| A DFT study to explore structural, electronic, optical and mechanical properties of lead-free Na2MoXO6 (X= Si, Ge, Sn) double perovskites for photovoltaic and optoelectronic … A Khan, NU Khan, A Nawaz, K Ullah, A Manan Computational and Theoretical Chemistry 1240, 114834, 2024 | 3 | 2024 |
| First-principles calculations to investigate structural, electronic, mechanical, optical and thermoelectric properties of Sr-based fluoride perovskites SrXF3 (X= Nb, Ti, Zr) JY Al-Humaidi, J Iqbal, NU Khan, S Abdullaev, V Tirth, A Algahtani, ... Materials Science in Semiconductor Processing 171, 107983, 2024 | 2 | 2024 |
| Enchanting optical, electronic, and mechanical properties of the sodium based Na2MgSiZ6 (Z= I, Br, Cl) halides have been explored through DFT J Iqbal, H Ullah, M Archi, N Ullah, S Ullah, R Ullah, Z Iqbal Physica Scripta 99 (11), 115949, 2024 | 1 | 2024 |
| Evaluating A2SrGeI6 (A= K and Rb) Lead-Free double Perovskites: Structural, Elastic, and optoelectronic insights for clean energy AN Khan, S Rabhi, MA Jehangir, R Charif, NU Khan, A Begagra, ... Inorganic Chemistry Communications, 113949, 2025 | | 2025 |
| Theoretical insight into stabilities and optoelectronic properties of RbZnX3 (X=Cl, Br) halide perovskites for energy conversion applications NU Khan, U Ghani, A khan, AN Khan, K Ullah, R Ali, MM Fadhali Optical and Quantum Electronics 57 (1), 109, 2025 | | 2025 |
| Investigation of a new group of low band-gap semiconducting double perovskite K2MgSnZ6 (Z = Cl, Br, & I) materials and their structural, electronic, mechanical, and optical … SUAS Javed Iqbal1, Habib Ullah2, Riaz Ullah3, Naimat Ullah Khan4, Zafar Iqbal5 Physica Scripta, 2024 | | 2024 |
