Predicting two-dimensional diphosphorus silicide monolayer by the global optimization method
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DOI: 10.1016/j.cplett.2020.137514
Abstract: Abstract Using CALYPSO methodology, we proposed a stable two-dimensional P2Si monolayer, as examined via cohesive energy, mechanical criteria and all positive phonon spectra. The P2Si monolayer is an indirect semiconductor with large band-gap of 1.6055… read more here.
Keywords: monolayer; p2si monolayer; two dimensional; predicting two ... See more keywords