A New Superhard sp3-Hybridized Carbon Allotrope with Ultrawide Direct Band Gap: Ibca-C64
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DOI: 10.3390/ma18184316
Abstract: A novel all-sp3-hybridized superhard carbon allotrope, Ibca-C64, is proposed based on first-principles calculations combined with the RG2 (space group and graph theory) structure search method. A systematic investigation of its stability, mechanical properties, and electronic… read more here.
Keywords: ibca c64; carbon allotrope; direct band; sp3 hybridized ... See more keywords