Electronic structure and magnetic properties of transition-metal (Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag and Cd) doped in GaN nanotubes

摘要

We have presented calculations on the structural, electronic and magnetic properties of 4d transition-metal (TM) (TM = Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag and Cd) doped in gallium nitride nanotube (GaNNT). The calculations illustrate that there is distortion around 4d transition-metal impurities with respect to the pure GaNNTs. The magnetic moments are not consistent with the predicted value of Hund's rule. The results show Ru doped GaNNT is non-magnetic metal; whereas Ag, and Cd doped GaNNT are ferromagnetic metal. Moreover Y, Rh, Tc and Nb doped GaNNT system are semiconductors with classic, non-magnetic narrow-band, non-magnetic gap-less and magnetic gapless nature, respectively. Also the Nb doped GaNNT system have maximum magnetic moments. Our results suggest that 4d TM-doped nanotubes can be valuable in spintron-ics devices.