Computational investigations on band structure and electronic features of chromium-based carbides and nitride Cr 3 PX (X = C and N) through the FP-APW+LO approach
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DOI: 10.1016/j.spmi.2016.11.027
Abstract: Abstract In this work, we have theoretically investigated the band structure of antiperovskite chromium-based carbides and nitrides Cr 3 PX (X = C and N) using the first-principles calculation based on the FP-APW+LO method. The principal structural… read more here.
Keywords: chromium based; based carbides; investigations band; structure ... See more keywords