121 citations · 154 across the 10 of their papers we have counts for
11 papers
The Physical Properties of ThCr2Si2-type Nickel-based Superconductors BaNi2T2 (T = P, As): An ab-initio study
Md. Atikur Rahman, Md. Zahidur Rahaman, Md. Lokman Ali +1
Employing the first-principles computations based on the density functional theory (DFT), we have investigated the structural, mechanical, electronic, bonding, optical and thermody…
Ab-initio study of structural, elastic, electronic, optical and thermodynamic properties of MgV2O6
Md. Atikur Rahman, Md. Zahidur Rahaman, Md. Abdur Razzaque Sarker
We have performed ab-initio calculations using plane-wave ultraviolet pseudopotential technique based on the density-functional theory (DFT) to study the structural, mechanical, el…
Investigation on the Physical Properties of Two Laves Phase Compounds HRh2 (H = Ca and La): A DFT Study
Md. Zahidur Rahaman, Md. Atikur Rahman
Structural, elastic, electronic and optical properties of laves phase intermetallic compounds CaRh2 and LaRh2 prototype with MgCu2 are investigated by using the first principle cal…
Pressure-dependent mechanical and thermodynamic properties of newly discovered cubic Na2He
Md. Zahidur Rahaman, Md. Lokman Ali, Md. Atikur Rahman
Recently for the first time a stable compound of He and Na (Na2He) is predicted at high pressure. We explore the pressure dependent elastic, mechanical and thermodynamic properties…
Novel 122-type Ir-based superconductors BaIr2Mi2 (Mi = P and As): A density functional study
Md. Zahidur Rahaman, Md. Atikur Rahman
We explore the structural, electronic, bonding, mechanical, thermodynamic and superconducting properties of two newly discovered isostructural bulk superconductors barium iridium p…
ThCr2Si2-type Ru-based superconductors LaRu2M2 (M = P and As): An ab-initio investigation
Md. Zahidur Rahaman, Md. Atikur Rahman
ThCr2Si2-type Ru-based superconductors LaRu2P2 and LaRu2As2 with Tc ~ 4 K and 7.8 K respectively have been reported very recently. Using the first principles method we investigate…