We present a combined experimental-theoretical demonstration of the energy spectrum and exchange coupling of an isolated donor pair in a silicon nanotransistor. The molecular hybridization of the atomic orbitals leads to an enhancement of the one- and two-electron binding energies and charging energy with respect to the single donor case, a desirable feature for quantum electronic devices. Our hydrogen molecule-like model based on a multivalley central-cell corrected effective mass theory incorporating a full configuration interaction treatment of the 2-electron spectrum matches the measured data for an arsenic diatomic molecule with interatomic distance R = 2.3 ± 0.5 nm.
Keywords: Quantum computing; dopants; exchange coupling; quantum chemistry; silicon; transistor.