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We analyze the valley composition of one electron bound to a shallow donorclose to a Si/barrier interface as a function of an applied electric field. Afull six-valley effective mass model Hamiltonian is adopted. For low fields,the electron ground state is essentially confined at the donor. At high fieldsthe ground state is such that the electron is drawn to the interface, leavingthe donor practically ionized. Valley splitting at the interface occurs due tothe valley-orbit coupling, V_vo^I = |V_vo^I| e^{i theta}. At intermediateelectric fields, close to a characteristic shuttling field, the electron statesmay constitute hybridized states with valley compositions different from thedonor and the interface ground states. The full spectrum of energy levels showscrossings and anti-crossings as the field varies. The degree of levelrepulsion, thus the width of the anti-crossing gap, depends on the relativevalley compositions, which vary with |V_vo^I|, theta and the interface-donordistance. We focus on the valley configurations of the states involved in thedonor-interface tunneling process, given by the anti-crossing of the threelowest eigenstates. A sequence of two anti-crossings takes place and thecomplex phase theta affects the symmetries of the eigenstates and levelanti-crossing gaps. We discuss the implications of our results on the practicalmanipulation of donor electrons in Si nanostructures.

Impact of the valley degree of freedom on the control of donor electrons near a Si/SiO_2 interface