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We present atomistic simulations of the D0 to D- charging energies of a gated donor in silicon as a function of applied fields and donor depths and find good agreement with experimental measure- ments. A self-consistent field large-scale tight-binding method is used to compute the D- binding energies with a domain of over 1.4 million atoms, taking into account the full bandstructure of the host, applied fields, and interfaces. An applied field pulls the loosely bound D- electron towards the interface and reduces the charging energy significantly below the bulk values. This enables formation of bound excited D-states in these gated donors, in contrast to bulk donors. A detailed quantitative comparison of the charging energies with transport spectroscopy measurements with multiple samples of arsenic donors in ultra-scaled FinFETs validates the model results and provides physical insights. We also report measured D-data showing for the first time the presence of bound D-excited states under applied fields.
Substitutional donor atoms in silicon are promising qubits for quantum computation with extremely long relaxation and dephasing times demonstrated. One of the critical challenges of scaling these systems is determining inter-donor distances to achiev
We provide here a roadmap for modeling silicon nano-devices with one or two group V donors (D). We discuss systems containing one or two electrons, that is, D^0, D^-, D_2^+ and D_2^0 centers. The impact of different levels of approximation is discuss
Modulation of donor electron wavefunction via electric fields is vital to quantum computing architectures based on donor spins in silicon. For practical and scalable applications, the donor-based qubits must retain sufficiently long coherence times i
We use the entanglement measure to study the evolution of quantum correlations in two-electron axially-symmetric parabolic quantum dots under a perpendicular magnetic field. We found that the entanglement indicates on the shape transition in the dens
An AC electric field applied to a donor-bound electron in a semiconductor modulates the orbital character of its wave function, which affects the electrons spin dynamics via the spin-orbit interaction. Numerical calculations of the spin dynamics of a