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cond-mat.mtrl-sci2022★ 15 cited
High pressure mediated physical properties of Hf2AB (A = Pb, Bi) via DFT calculations
M. S. Hossain, N. Jahan, M. M. Hossain +2
Using density functional theory (DFT), the structural, mechanical, electronic, thermal, and optical properties of Hf2AB (A = Pb, Bi) borides were studied, considering the pressure…
cond-mat.mtrl-sci2022
The rise of 212 MAX phase borides, TiPB, ZrPbB, and NbAB [A = P, S]: DFT insights into the physical properties for thermo-mechanical applications
M. A. Ali, M. M. Hossain, M. M. Uddin +2
An interesting class of ternary metallic borides, known as the 212 MAX phase borides, is the recent advancement of the MAX phase family. In this article, results from ab-initio cal…