First-principles study on structural, mechanical and optoelectronic properties of lead-free mixed Ge–Sn hybrid organic-inorganic perovskites K Hossain, S Khanom, F Israt, MK Hossain, MA Hossain, F Ahmed Solid State Communications 320, 114024, 2020 | 27 | 2020 |
Development of high-performance ScS2 monolayer as cathode material: A DFT analysis A Al Roman, MM Rahman, K Hossain, S Das, F Ahmed Solid State Communications 352, 114828, 2022 | 19 | 2022 |
First-principles calculations to investigate effect of X+ cations variation on structural, mechanical, electronic and optical properties of the XCdCl3 chloroperovskites K Hossain, RA Rabu, MS Khanom, MK Hossain, F Ahmed Materials Science and Engineering: B 289, 116228, 2023 | 14 | 2023 |
First-principles simulations to investigate effect of hydrostatic pressure on structural, mechanical, electronic, and optical properties of the AgCdCl3 perovskite J Islam, K Hossain Emergent Materials 6 (6), 1763-1777, 2023 | 7 | 2023 |
First-principles calculation to investigate electronic, optical, and mechanical properties of halide perovskite LiABr3 (A= Ca, Sr, and Ba) for optoelectronic technologies MT Hossain, J Islam, M Hasan, K Hossain Physica B: Condensed Matter 691, 416355, 2024 | 4 | 2024 |
First-principles calculations to investigate structural, elastic, thermodynamic, electronic, and optical properties of AgXCl3 (X= Fe, Co & Mn) P Mondal, K Hossain, MS Khanom, MK Hossain, F Ahmed Computational Condensed Matter 37, e00860, 2023 | 4 | 2023 |
First-principles study of structural, mechanical, lattice dynamics, superconducting and optoelectronic properties of the Pd3Pb2Se2 shandite under hydrostatic pressure K Hossain, RA Rabu, MS Khanom, MK Hossain, F Ahmed Physica B: Condensed Matter 637, 413920, 2022 | 4 | 2022 |
Effect of pressure in tuning the physical properties of MAX phase Zr2AN (A= In, Ga): A DFT scheme F Fakhera, K Hossain, S Khanom, MK Hossain, F Ahmed Results in Physics 53, 106912, 2023 | 3 | 2023 |
First-principles investigations of As-doped tetragonal boron nitride nanosheets for toxic gas sensing applications K Hossain, MT Ahmed, RA Rabu, F Ahmed Nanoscale Advances 7 (1), 354-369, 2025 | 2 | 2025 |
Understanding the impact of Y2+ (YMn, Fe, and Co) cations on physical properties of SrYGe2O6 clinopyroxene: A DFT insight F Fakhera, K Hossain, MS Khanom, MK Hossain, F Ahmed Journal of Physics and Chemistry of Solids 173, 111112, 2023 | 2 | 2023 |
Investigation of structural, mechanical, electronic, optical, and thermodynamic properties of AXI3 (A= Li, Na; X= Ca, Sr, and Ba) halide perovskites for emerging energy … MT Hossain, T Akter, J Islam, MAAB Shuvo, K Hossain, MA Hossain Materials Science in Semiconductor Processing 188, 109235, 2025 | 1 | 2025 |
First-principles investigation of half-metallic CaTGe2O6 (T= Mn, Fe, Co) clinopyroxenes: Potential for spintronics and optoelectronics applications T Akter, J Islam, K Hossain, RA Rabu Heliyon 11 (1), 2025 | | 2025 |
Impact of M‐Site Cation Variation on Structural, Electronic, and Optical Properties of Pd3M2Se2 (M= Pb, Sn) Dichalcogenides: A Computational Study RA Rabu, K Hossain, MS Khanom, MK Hossain, F Ahmed Crystal Research and Technology, 2300117, 2023 | | 2023 |