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cond-mat.mtrl-sci2024
Ab-initio insights into the mechanical, phonon, bonding, electronic, optical and thermal properties of hexagonal W2N3 for potential applications
Istiak Ahmed, F. Parvin, R. S. Islam +1
We investigated the structural, elastic, electronic, vibrational, optical, thermodynamic and a number of thermophysical properties of W2N3 in this study using DFT based formalisms.…
cond-mat.mtrl-sci2024
Pressure dependent physical properties of a potential high-TC superconductor ScYH6: insights from first-principles study
Md. Ashraful Alam, F. Parvin, S. H. Naqib
We have investigated the structural, elastic, electronic, thermophysical, superconducting, and optical properties of ScYH6 under uniform hydrostatic pressures up to 25 GPa, using t…