  In this paper, we have analysed the electronic and mechanical properties of
Nitrogen(N) doped (6,1) SWCNTs based on first-principles and Molecular dynamic
(MD) simulation. A schematic N-doping on SWCNT was performed along zigzag(zz)
and armchair(ac) direction. Armchair doping is considered parallel to the tube
axis while the zigzag is along the cross-section perpendicular to the tube
axis. In doping pattern (both zz and ac) we have observed the variation in
electronic properties for even number of N-doping and odd number of N-doping.
To study the mechanical properties we have adopted ab-initio MD-simulations. We
report the dependence of the tensile response of the tube on the dopant
concentration and doping pattern. The single N-doped system shows enhanced
tensile stress by 55% as compared to the pristine SWCNT. While the variation of
young's modulus for all N-doped systems are almost invariant.
