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

• Ru doped GaNNT is non-magnetic metal.
• Ag and Cd doped GaNNT are ferromagnetic metal.
• Nb doped GaNNT system is gapless magnetic semiconductors.
• Nb doped GaNNT system can be used in spintronics.
• The TM doped GaNNTs could be useful in gas sensors and catalysts.

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 gapless 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 spintronics devices.