Samia Razzaq

Improving thermodynamic properties and desorption temperature in MgH2 by doping Be: DFT study

Hafiz Hamid Raza, G. Murtaza, Samia Razzaq et al. · Molecular Simulation · 2023 · 34 citations

The structural, mechanical, phonon and pressure induced thermodynamic properties of X4Mg4H12 (X = Rb and Cs) for hydrogen storage applications via PBE-GGA and TB-mBJ potentials

Hafiz Hamid Raza, G. Murtaza, Zeesham Abbas et al. · Materials Science and Engineering B · 2023 · 30 citations

Materials Science, Hydrogen Storage Applications, Engineering +7

First principles study of the structural, half-metallic ferromagnetism, magnetic, and transport properties of KXO2 (X = Pr, Nd, and Pm) hexagonal oxides

Bisma Tariq, G. Murtaza, Hassan Ali et al. · Solid State Communications · 2023 · 29 citations

Materials Science, Magnetism, Magnetic Properties +9

Theoretical Study of Half-Heusler CsXAs (X = Ca, Sr, and Ba) from First Principle Calculations

Samia Razzaq, Khawar Ismail, G. Murtaza et al. · Journal of Superconductivity and Novel Magnetism · 2022 · 12 citations

Materials Science, Theoretical Study, Engineering +12

Ab-initio calculation of electronic, mechanical, optical and phonon properties of ZrXH₃(X = Co, Ni and Cu): A key towards potential hydrogen storage materials

Samia Razzaq, G. Murtaza, R.M. Arif Khalil et al. · International Journal of Modern Physics B · 2022 · 11 citations