Doping-induced spin-orbit splitting in Bi-doped ZnO nanowires

Abstract

Our predictions, based on density-functional calculations, reveal that surface doping of ZnO nanowires with Bi leads to a linear-in-$k$ splitting of the conduction-band states, through spin-orbit interaction, due to the lowering of the symmetry in the presence of the dopant. This finding implies that spin polarization of the conduction electrons in Bi-doped ZnO nanowires could be controlled with applied electric (as opposed to magnetic) fields, making them candidate materials for spin-orbitronic applications. Our findings also show that the degree of spin splitting could be tuned by adjusting the dopant concentration. Defect calculations and ab initio molecular dynamics simulations indicate that stable doping configurations exhibiting the foregoing linear-in-$k$ splitting could be realized under reasonable thermodynamic conditions.