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cond-mat.mtrl-sci2012★ 1 cited
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,…
cond-mat.mtrl-sci2012
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…