Ab-Initio Calculation for the Study of Nano Scale Silicon Based Device Structure
Motivated by the possibility of scaling down of various electronic devices at the nanolevel, we have chosen a simple p-n junction like device in silicon structure. An aggregation of seventy-eight silicon atoms, passivated by oxygen is considered. We compute the electronic structure of such a cluster and then the density of states and the optical spectra for this aggregate are compared with a modified one. The modification is introduced by substituting phosphorus and boron atom within this cluster of silicon atoms in both sides in order to make a p-n junction like situation. A variant of this p-n junction like structure is introduced by adding a layer of oxygen between the phosphorus and boron regions. Comparison of the electronic structures of all these systems reveals several interesting properties.
Veena Tikare, Graeme E. Murch, Frédéric Soisson and Jeung Ku Kang
S. Chakraborty et al., "Ab-Initio Calculation for the Study of Nano Scale Silicon Based Device Structure", Solid State Phenomena, Vol. 139, pp. 113-118, 2008