87 citations · 604 across the 33 of their papers we have counts for
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Synthesized inverse-perovskites Sc3InX (X = B, C, N): A theoretical investigation
M. A. Hossain, M. S. Ali, F. Parvin +1
We present first-principles density functional theory (DFT) investigations of mechanical, thermodynamic and optical properties of synthesized inverse-perovskites Sc3InX (X = B, C,…
Mechanical, thermal and optical properties of perovskite borides RRh3B(R = Y, Zr, and Nb)
M. A. Hossain, M. S. Ali, A. K. M. A. Islam
We report here ab initio density functional theory (DFT) calculations of structural, elastic, Peierls stress, thermodynamic and optical properties of RRh3B (R = Y, Zr and Nb) using…
Theoretical investigations of superconducting MAX phases Ti2InX (X = C, N)
M. Roknuzzaman, A. K. M. A. Islam
The structural, elastic, electronic, thermal and optical properties of superconducting MAX phases Ti2InX (X = C, N) are investigated by density functional theory (DFT). The results…
Phase stability, elastic, electronic, thermal and optical properties of Ti3Al1-xSixC2 (0 LE x LE 1): First-principles study
M. S. Ali, A. K. M. A. Islam, M. M. Hossain +1
The structural parameters with stability upon Si incorporation and elastic, electronic, thermodynamic and optical properties of Ti3Al1-xSixC2 (0 \leq x \leq 1) are investigated sys…
Elastic, thermodynamic, electronic and optical properties of U2Ti
M. Z. Hasan, M. M. Hossain, M. S. Islam +2
An investigation of U2Ti, a potentially safe and heavy metal-based storage material for radioactive tritium for fusion reactor, has been performed using pseudopotential density fun…
Newly synthesized Ti5Al2C3: Electronic and optical properties by first-principles method
M. S. Ali, A. K. M. A. Islam, M. A. Hossain
A theoretical study of the newly identified Ti5Al2C3 belonging to the MAX phases has been performed by using the first-principles pseudopotential plane-wave method within the gener…