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20112023
most citedOrigin of high hardness and optoelectronic and thermo-physical properties of boron-rich compounds B6X (X = S, Se): a comprehensive study via DFT approach

87 citations · 113 across the 12 of their papers we have counts for

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Showing 2018Show all

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cond-mat.mtrl-sci2018

First principles study of M2InC (M = Zr, Hf and Ta) MAX phases: The effect of M atomic species

F. Sultana, M. M. Uddin, M. A. Ali +3

We have studied the physical properties of M2InC (M = Zr, Hf and Ta) MAX phases ternary carbides using density functional theory (DFT) methodology. The structural, elastic and elec…

cond-mat.mtrl-sci2018

Elastic, electronic, optical and thermoelectric properties of K2Cu2GeS4: a new chalcogenide material

M. A. Ali, M. A. Hossain, M. A. Rayhan +5

We report the first principles study of structural, elastic, electronic, optical and thermoelectric properties of newly synthesized K2Cu2GeS4. The structural parameters are found t…