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- W4296205874 abstract "Abstract Boron oxide B 6 O is an excellent superhard material with good properties such as high thermal conductivity, low density and high chemical inertness. It is widely used in precision machining of construction machinery, coating of national defense equipment, and lacquering of electronic appliances. In order to improve the defects of brittle fracture of B 6 O, a new material Cmcm -B 5 XO (X=Al, Zr) is proposed, and based on the first principles, the structure, stability, mechanical properties and the influence of doping on the intrinsic mechanism of the material were studied and analyzed. The results of elastic constants show that Cmcm -B 5 XO (X=Al, Zr) satisfies the mechanical stability. The analysis of the mechanical properties of the material shows that Cmcm -B 5 AlO is harder while Cmcm -B 5 ZrO is more plastic. The research results provide a certain reference value for the future experimental synthesis of new hard materials and the application of optoelectronic device thin films in different scenarios." @default.
- W4296205874 created "2022-09-18" @default.
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- W4296205874 date "2022-09-01" @default.
- W4296205874 modified "2023-09-26" @default.
- W4296205874 title "First-principles study of the properties of Cmcm-B<sub>5</sub>XO (X=Al, Zr)" @default.
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- W4296205874 doi "https://doi.org/10.1088/1742-6596/2342/1/012011" @default.
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