Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory

Abstract

Donor spin in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.

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• Semiconductor Spin Qubits
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• Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
• The impact of stochastic incorporation on atomic-precision Si:P arrays
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• Tomography of entangling two-qubit logic operations in exchange-coupled donor electron spin qubits
• High-precision real-space simulation of electrostatically-confined few-electron states
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• Electron readout contrast enhancement in the parallel nuclear regime of an exchange-coupled donor spin qubit system