First principles investigation of the structural, electronic, and optical properties of new c-Si12 silicon allotrope with a cubic structure
Sign Up to like & getrecommendations! Published in 2021 at "Solid State Communications"
DOI: 10.1016/j.ssc.2021.114325
Abstract: Abstract In this paper, some structural, electronic, and optical properties of c-Si12 silicon allotrope was investigated based on the density functional theory approach. The results were compared to some of silicon allotropes. The structural results… read more here.
Keywords: silicon allotrope; structure; optical properties; diamond ... See more keywords
A Novel Silicon Allotrope in the Monoclinic Phase
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DOI: 10.3390/ma10040441
Abstract: This paper describes a new silicon allotrope in the P2/m space group found by first-principles calculations using the Cambridge Serial Total Energy Package (CASTEP) plane-wave code. The examined P2/m-Si belongs to the monoclinic crystal system.… read more here.
Keywords: novel silicon; silicon allotrope; monoclinic phase; allotrope monoclinic ... See more keywords