First-principles study of transport of V doped boron nitride nanotube

Abstract

We perform first-principles calculations of spin-dependent quantum transport in V doped boron nitride nanotube: the junction of pristine ( 6 , 0 ) boron nitride nanotube in contact with V doped ( 6 , 0 ) boron nitride nanotube electrodes. Large tunnel magnetoresistance and perfect spin filtration effect are obtained. The zero bias tunnel magnetoresistance is found to be several thousand percent, it reduces monotonically to zero with a voltage scale of about 0.65 V, and eventually goes to negative values after the bias of 0.65 V. The ratio of spin injection is above 95% till the bias of 0.85 V and is even as large as 99% for the bias from 0.25 eV to 0.55 eV when the magnetic configurations of two electrodes are parallel. The understanding of the spin-dependent nonequilibrium transport is presented by investigating microscopic details of the transmission coefficients.