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cond-mat.mtrl-sci2008
Comparative study of the electron conduction in azulene and naphthalene
Sudipta Dutta, S. Lakshmi, Swapan K. Pati
We have studied the feasibility of electron conduction in azulene molecule and compared with that in its isomer naphthalene. We have used non-equilibrium Green's function formalism…
cond-mat.mtrl-sci2008★ 1 cited
Molecular Electronics: Effect of external electric field
S. Lakshmi, Sudipta Dutta, Swapan K. Pati
The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of si…
cond-mat.mtrl-sci2007
Half-Metallicity in Undoped and Boron Doped Graphene Nanoribbons in Presence of Semi-local Exchange-Correlation Interactions
Sudipta Dutta, Swapan K. Pati
We perform density functional calculations on one-dimensional zigzag edge graphene nano-ribbons (ZGNRs) of different widths, with and without edge doping including semi-local excha…