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- W3200350031 abstract "The influence of transition metals on the mechanical and electronic properties of RuB2 is studied by the first-principles approach. The results show that the TM-doped RuB2 is a thermodynamic stability. Naturally, the stability of TM-doped RuB2 is related to the hybridization between atoms. The transition metals enhance the electronic properties of RuB2. We find that these transition metals enhance the hardness, shear deformation resistance and elastic stiffness of RuB2. The hardness of Cr-doped RuB2 is 26.8GPa, which is larger than the RuB2. The improvement of hardness derives from the hybridization between B atoms under the role of metals." @default.
- W3200350031 created "2021-09-27" @default.
- W3200350031 creator A5056329584 @default.
- W3200350031 date "2021-11-01" @default.
- W3200350031 modified "2023-09-26" @default.
- W3200350031 title "Influence of transition metal on the mechanical and electronic properties of RuB2 from first-principles calculations" @default.
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- W3200350031 doi "https://doi.org/10.1016/j.cplett.2021.139043" @default.
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