The electronic structure and magnetic properties of the transition-metal （TM） atoms （Sc-Zn, Pt and Au） doped zigzag GaN single-walled nanotubes （NTs） are investigated using first-principles spin-polarized density functional calculations. Our results show that the bindings of all TM atoms are stable with the binding energy in the range of 6-16 eV. The Sc- and V-doped GaN NTs exhibit a nonmagnetic behavior. The GaN NTs doped with Ti, Mn, Ni, Cu and Pt are antiferromagnetic. On the contrary, the Cr-, Fe-, Co-, Zn- and Au-doped GaN NTs show the ferromagnetic characteristics. The Mn- and Co- doped GaN NTs induce the largest local moment of 4#B among these TM atoms. The local magnetic moment is dominated by the contribution from the substitutional TM atom and the N atoms bonded with it.
We investigate the electronic structures of InGaN_(2) nanotubes(NTs)using first-principles calculations.It is found that all four types of InGaN_(2) NTs,with the same diameter,have similar stability.The total energy of the per unit InGaN_(2) NT depends on its diameter due to the curvature effect.The zigzag(armchair)InGaN_(2) NTs have direct(indirect)band gaps.The band gap increases for all of the InGaN_(2) NTs when their diameters increase.The valence band maximum(VBM)states of the InGaN_(2) NTs are p-like states localised around N atoms.The p-like VBM states in zigzag(armchair)InGaN_(2) NTs are perpendicular(parallel)to the tube axis.
