Silicon Allotropes, Tetragonal-Body-Centered (Bct), Mixed

In this work, we will study at a basic level, a series of possible new three-dimensional monoclinic allotropes of silicon, with sp3 hybridization, of the bct type; where hexahedrons and octahedrons are combined, with other cluster shapes, with basic silicon geometries such as: triangles ( Si3 ), squares ( Si4 ), pentagons ( Si5 ) and hexagons ( Si6 ); similar to two-dimensional, sp2 hybridized graphene allotropes. Calculating its electron density, bandgap energy and electronic mobility.