Density Functional Theory (DFT)
Materials Science
Condensed Matter Physics
Perovskite Solar Cell
Material Characterizations

[1]. M. H. Mia, Mst A. Khatun, and M. Rahman. "Ti2PTe2 chalcogenide A comprehensive DFT study on physical properties." Next Materials 7 (2025) 100434.
[2]. M. H. Mia, F. Parvin, A. K. M. A. Islam, and Mst A. Khatun. "Ternary chalcogenides NbInX2 (X= S, Se) A comprehensive investigation of mechanical, electronic, vibrational, optical and thermophysical properties." International Journal of Modern Physics B (2024) 2550118.
[3]. M. H. Mia, and Mst A. Khatun. "Dynamic tuning of optoelectronic and mechanical properties in TlMCl3 (M= Ge, Sn) under pressure-induced phase transition." Heliyon (2025), Volume 11, Issue 4, e42603.
[4]. Mst A. Khatun, M. H. Mia, Sohail Ahmad, and S. K. Mitro. "Crystal stability and the origin of transport properties of new MAX phases Y2AN (A= In, Tl) a theoretical background for experimental study." Heliyon (2025), Volume 11, Issue 4e42646.
[5]. Khatun, Mst A., M. H. Mia, M. A. Hossain, F. Parvin, and A. K. M. A. Islam. "Optical and thermoelectric properties of layer structured Ba2XS4 (X= Zr, Hf) for energy harvesting applications." Journal of Physics and Chemistry of Solids 196 (2025) 112381.
[6]. Rahman, Md Atikur, Mst Asma Khatun, Md Hasan Mia, Mst Zugrufa, and Ahmad Irfan. "First‐Principles Calculations to Investigate the Structural, Mechanical, Electronic, Optical and Thermal Properties of Disilicides Materials UT2Si2 (T= Ru, Rh, and Pd)." physica status solidi (b) 262, no. 1 (2025) 2400230.
[7]. Das, Ovijit, Jahid Kabir Rony, Pallab Kumar Karmaker, Mst A. Khatun, Md Murshidul Islam, M. H. Mia, Md Saiduzzaman, and Minhajul Islam. "Tailoring the physical properties of InSnX3 (X= F, cl) perovskites via pressure A path toward sustainable optoelectronics." Chemical Physics (2025) 112635.
[8]. Rony, Jahid Kabir, Minhajul Islam, Md Saiduzzaman, Khandaker Monower Hossain, Safin Alam, Arpon Biswas, M. H. Mia, Sohail Ahmad, and S. K. Mitro. "TlBX3 (B= Ge, Sn; X= Cl, Br, I) Promising non-toxic metal halide perovskites for scalable and affordable optoelectronics." Journal of Materials Research and Technology 29 (2024) 897-909.
[9]. M.H. Mia, U Ahmed, SK Saha, Md Ashraf Ali, Unveiling mechanical, electronic, and optical properties of newly synthesized Mo2VAlC2 and Mo2V2AlC3 o-MAX phases via first-principles calculations; Journal of Materials Research and Technology 36 (2025) 2468-2484.
[10]. Md. Tarekuzzaman, Nazmul Shahadath, Mufrat Montasir, O. Alsalmi, M. H. Mia, Hmoud Al-Dmour, Md. Rasheduzzaman and Md. Zahid Hasan, DFT analysis of the physical properties of direct band gap semiconducting double perovskites A2BIrCl6 (A = Cs, Rb; B = Na, K) for solar cells and optoelectronic applications, RSC advances, Issue 17, 2025.

o Bangladesh Government Primary School Scholarship, 2009.
o Awarded the BRAC Medhabikash Scholarship, 2014.
o Awarded the Prof. Shamsunnahar Student Scholarship, 2018.
o Awarded the DEAN’S AWARD-2022 in recognition of securing CGPA 3.82 in the
B.Sc (Hons.) Examination, 2020.
o Awarded the fellowship from the National Science and Technology (NST),
Bangladesh, 2022.
o Merit Scholarship for the outstanding result from university of Rajshahi, 2023.
o 1st best poster presentation award in International Conference on The Role of Science
and Technology towards 4IR, 2023.