Extended interface states enhance valley splitting in Si/SiO2

Abstract: Interface disorder and its effect on the valley degeneracy of the conduction band edge remains among the greatest theoretical challenges for understanding the operation of spin qubits in silicon. Here, we investigate a counterintuitive effect occurring at Si/SiO2 interfaces. By applying tight binding methods, we show that intrinsic interface states can hybridize with conventional valley states, leading to a large ground state energy gap. The effects of hybridization have not previously been explored in details for valley splitting. We find that valley splitting is enhanced in the presence of disordered chemical bonds, in agreement with recent experiments.