9 papers
Topological Electronic States and Phonon Mediated Superconductivity in Ru Based Ternary Pnictides: ZrRuAs and HfRuP
Jubair Hossan Abir, Tanvir Khan, Tauhidur Rahman +5
This study investigates the structural, electronic, mechanical, optical, thermodynamic, and superconducting properties of ZrRuAs and HfRuP. Electronic band structure calculations r…
Ambient and Pressure Dependent Superconductivity with Hydrogen Storage Potential in Quaternary Hydride LiMgZr2H12: A Comprehensive First-principles Insights
Jubair Hossan Abir, Tauhidur Rahman, Salauddin Muhammad Anis +2
Molecular hydrides have attracted relatively less attention in the search for high Tc superconductors because their hydrogen quasi-molecular units tend to be electronically inactiv…
First-Principles Investigation of the Pressure Dependent Physical Properties of Intermetallic Kagome ZrRe2
Mst. Irin Naher, A. F. M. Yusuf Haider, Dholon Kumar Paul +3
We present a density functional theory investigation of the pressure dependent structural, electronic, mechanical, thermophysical, vibrational, and optical properties of the interm…
Pressure dependent topological, superconducting, optoelectronic and thermophysical properties of Ta2Se chalcogenide: Theoretical insights
Tauhidur Rahman, Jubair Hossan Abir, Sourav Kumar Sutradhar +4
Tetragonal Ta2Se is a layered, Ta-rich chalcogenide that departs from conventional MX2 transition-metal dichalcogenides by hosting dense Ta-Ta networks capped by Se square-net laye…
Ab-initio Study of Structural, Magnetic, Optoelectronic and Thermo-Physical Properties of HoPdBi Half-Heusler Semimetal
Tanvir Khan, F. Parvin, S. H. Naqib
In this investigation, we have used the density functional theory (DFT) to investigate several aspects of the half-Heusler compound HoPdBi. The following properties have been studi…
DFT based insights into elastic, thermophysical, electronic and optical properties of topological insulators XTe5 (X = Zr, Hf)
Syed Shovon Mahbub Mahin, Suptajoy Barua, B. Rahman Rano +2
Transition metal penta-tellurides, ZrTe5 and HfTe5 have been recently drawn a lot of attention due to their fascinating physical properties and for being prominent materials showin…