Exploring electronic structure of rectangualr silicene nanoclusters

In the last years, graphene has attracted an increasing interest because it is considered the
elementary unit in modern microelectronics such as transistors, photovoltaics cells,
and even battery energy storage. Although most of the striking properties of
graphene have been predicted to occur in silicene such as Diract cone, the major advantage of investigating silicene
like nanoclusters or nanoribbons is that these can be easily incorporated into the present silicon
based microelectronic industry. In addition, silicene nanoclusters have the advantage that they all posses fine band gaps because of quantum confinement effect that is desirable for their applications. Therefore, we investigated the electronic and transport properties of silicene
nanclusters, and the eect of electron correlation using multi-referential first principal calculations
that have not been done yet until now in density functional theory publications concerning silicene. So, we demonstrated that silicene nanoclusters can exhibit two dierent states known
as ferromagnetic and antiferromagnetic. The ferromagnetic state is obtained for na > nz with
na and nz being the units on the armchair and zigzag edges of the rectangular nanoclusters.
The antiferromagnetic states is given by nz > na with nz 2 [1; 7] and na 2 [1; 9].