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20182023
most citedFirst-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPdBO (B = Ti, V) perovskite

177 citations · 306 across the 17 of their papers we have counts for

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cond-mat.mtrl-sci2018★ 81 cited

Effects of transition metals on physical properties of M2BC (M = V, Nb, Mo and Ta): a DFT calculation

P. Barua, M. M. Hossain, M. A. Ali +3

The electronic band structures along with Fermi surface, anisotropy, Vickers hardness, analysis of Mulliken populations, optical and thermodynamic properties were studied for the f…