First principles studies of superhard BC6N phases with unexpected 1D metallicity
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DOI: 10.1016/j.commatsci.2018.02.017
Abstract: Abstract Three novel sp2-sp3 hybridized BC6N phases with a sandwich structure, including a type of orthorhombic BC6N (o-BC6N) and two types of tetragonal BC6N (t-BC6N-1 and t-BC6N-2), are investigated through first principles calculations. The structural… read more here.
Keywords: bc6n phases; bc6n; metallicity; principles studies ... See more keywords