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• W1617140197 abstract "Based on first-principles calculation, we predict a tetragonal phase of BC2N (t-BC2N), which matches the experiment well because the estimated Vickers hardness and the simulated X-ray diffraction (XRD) and Raman patterns are in excellent agreement with the experimental results besides the low total energy and formation energy. In particular, we acquire the underlying physics behind the apparent lack of the transverse optical mode in the measured Raman spectrum and find the interesting electronic structure transition among the polymorph of superhard BC2N compounds." @default.
• W1617140197 created "2016-06-24" @default.
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• W1617140197 date "2009-05-01" @default.
• W1617140197 modified "2023-09-25" @default.
• W1617140197 title "A tetragonal phase of superhard BC2N" @default.
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• W1617140197 doi "https://doi.org/10.1063/1.3117521" @default.
• W1617140197 hasPublicationYear "2009" @default.
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