6 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…
Electronic Structure, Optical Response, Thermal and Mechanical Behavior of B6X (X = S, Se) under Pressure: A Comprehensive Ab-initio Exploration
Sourav Kumar Sutradhar, Tanvir Khan, Tauhidur Rahman +3
This study presents a comprehensive investigation of the pressure dependent structural, electronic, optical, mechanical, and bonding properties of orthorhombic boron rich chalcogen…
Exploring the Physical Properties, Hydrogen Storage Capacity and Thermal Barrier Performance of LaMg2H7: A First-Principles Investigation
Tanvir Khan, Md Hasan Shahriar Rifat, M. Ibrahim +3
LaMg2H7 is a ternary wide band gap semiconductor that is a member of the hydride family. The bulk physical characteristics of the LaMg2H7 compound, including its structural, electr…
First-Principles Investigation of the Physical and Thermoelectric Properties of Chalcogenide Compounds for Waste-Heat Recovery
Md Hasan Shahriar Rifat, Tanvir Khan, K. M. Mehedi Hassan
Improving energy efficiency by recovering waste heat and providing thermal protection is of high technological importance. This work investigates the chalcogenide compounds CdGa2Te…
Design and Modeling of CdGa2Te4 and ZnGa2Te4 Chalcogenide Compound-Based Photovoltaic Devices: A DFT Study along with SCAPS-1D Simulation
Md Hasan Shahriar Rifat, Tanvir Khan, Md Arafat Hossain Shourov +2
The electronic and optical properties of CdGa2Te4 and ZnGa2Te4 were studied using first-principles DFT calculations. Band gaps were calculated using the GGA-PBESol functional. Both…
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…