Influence of Transition Metals on Mechanical and Electronic Structure Properties of Boron Nitride Nanotubes

First principles calculations are implemented on doped boron nitride nanotubes (BNNTs) to exhibit their mechanical and spin dependent electronic characteristics. BNNTs are doped with transition metals to bring about spin polarization and adjust their band gaps. The numerical results are elucidated by means of spin resolved spectra, magnetic moment, charge transfer and conductance. It is demonstrated that dopants and/or defects can be employed to manipulate magnetic properties, which can induce a half metallic property. A discussion is presented regarding how they can be harnessed as building blocks for the prospective devices in the field of spintronics.