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Adiabatic shuttling of single impurity bound electrons to gate inducedsurface states in semiconductors has attracted much attention in recent times,mostly in the context of solid-state quantum computer architecture. A recenttransport spectroscopy experiment for the first time was able to probe theStark shifted spectrum of a single donor in silicon buried close to a gate.Here we present the full theoretical model involving large-scale quantummechanical simulations that was used to compute the Stark shifted donor statesin order to interpret the experimental data. Use of atomistic tight-bindingtechnique on a domain of over a million atoms helped not only to incorporatethe full band structure of the host, but also to treat realistic devicegeometries and donor models, and to use a large enough basis set to capture anynumber of donor states. The method yields a quantitative description of thesymmetry transition that the donor electron undergoes from a 3D Coulombconfined state to a 2D surface state as the electric field is ramped upadiabatically. In the intermediate field regime, the electron resides in asuperposition between the states of the atomic donor potential and that of thequantum dot like states at the surface. In addition to determining the effectof field and donor depth on the electronic structure, the model also provides abasis to distinguish between a phosphorus and an arsenic donor based on theirStark signature. The method also captures valley-orbit splitting in both thedonor well and the interface well, a quantity critical to silicon qubits. Thework concludes with a detailed analysis of the effects of screening on thedonor spectrum.

Orbital Stark effect and quantum confinement transition of donors in silicon