Computational nanoelectronics, from first-principles materials physics to transistor-level device simulation.
Research theme: multiscale device transport
Modern nanoscale devices are designed with a chain of models. Density functional theory gives the material, Wannier functions give a compact Hamiltonian, non-equilibrium Green’s function (NEGF) transport gives the current, and TCAD gives the circuit-relevant device. A number that comes out at the end is only as trustworthy as every parameter that went in. My group works to make that chain quantitative, reproducible and traceable. We track the origin and uncertainty of each parameter, and we test which claims about a new material survive contact with realistic dielectrics, contacts and disorder.
@article{mahi2026interlayer,title={Interlayer-engineering of charge order wavevector in kagome metals},author={Mahi, Muntafa M and Khosru, Quazi DM and Hasan, M Zahid and Alam, Mahbub and Hossain, Md Shafayat},journal={Physical Review Materials},volume={10},number={9},pages={L091801},year={2026},doi={10.1103/8ssl-ms2t}}
@article{roy2026does,title={Does stanene show promise for energy efficient 2D FETs?},author={Roy, Dhiman and Khan, Md Niloy and Alam, Mahbub},journal={Physica Scripta},volume={101},number={7},pages={075922},year={2026}}
@article{sarkar2026electric,title={Electric field-induced band quenching and semiconductor-to-metal transition in bilayer $\alpha_{12}$-borophene nanoribbons},author={Sarkar, Shovon and Khan, Md Niloy and Alam, Mahbub},journal={Journal of Computational Electronics},volume={25},number={4},pages={135},year={2026},note={Accepted, in press}}
@article{sharma2026topological,title={Topological phase transition in 1T′-WTe$_2$ zigzag and armchair edge nanoribbons with the applied out-of-plane electric field for application in FET},author={Sharma, Joy and Khan, Md Niloy and Munna, Mahfuzur Rahman and Ridwan, Adib Md and Alam, Mahbub},journal={Journal of Physics: Condensed Matter},volume={38},number={34},pages={345301},year={2026},doi={10.1088/1361-648X/ae9a24}}
@article{abid2026performance,title={Performance evaluation of Bi$_4$X$_4$ (X= Br, I) nanoribbon topological field-effect transistors: A DFT-NEGF-based study},author={Abid, Mushfiquzzaman and Ahmed, Fahim and Sikder, Jonaidul Islam and Alam, Mahbub},journal={Computational Condensed Matter},pages={e01430},year={2026}}
@article{khan2025dissipationless,title={Dissipationless edge transport in single-layer topological insulator Bi$_4$Br$_4$ based device under high vacancy concentration},author={Khan, Md Niloy and Alam, Mahbub},journal={Journal of Physics: Condensed Matter},volume={37},number={19},pages={195501},year={2025}}
