Ab-Initio Calculation for the Study of Nano Scale Silicon Based Device Structure


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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.



Solid State Phenomena (Volume 139)

Edited by:

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

Online since:

April 2008




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