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Register a new userFull configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory
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Added by
Benjamin Joecker M.Sc.
Publication date
2020
fields
Physics
and research's language is
English
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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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The presence of valley states is a significant obstacle to realizing quantum information technologies in Silicon quantum dots, as leakage into alternate valley states can introduce errors into the computation. We use a perturbative analytical approach to study the dynamics of exchange-coupled quantum dots with valley degrees of freedom. We show that if the valley splitting is large and electrons are not properly initialized to valley eigenstates, then time evolution of the system will lead to spin-valley entanglement. Spin-valley entanglement will also occur if the valley splitting is small and electrons are not initialized to the same valley state. Additionally, we show that for small valley splitting, spin-valley entanglement does not affect measurement probabilities of two-qubit systems; however, systems with more qubits will be affected. This means that two-qubit gate fidelities measured in two-qubit systems may miss the effects of valley degrees of freedom. Our work shows how the existence of valleys may adversely affect multiqubit fidelities even when the system temperature is very low.
Donors in silicon are now demonstrated as one of the leading candidates for implementing qubits and quantum information processing. Single qubit operations, measurements and long coherence times are firmly established, but progress on controlling two qubit interactions has been slower. One reason for this is that the inter donor exchange coupling has been predicted to oscillate with separation, making it hard to estimate in device designs. We present a multivalley effective mass theory of a donor pair in silicon, including both a central cell potential and the effective mass anisotropy intrinsic in the Si conduction band. We are able to accurately describe the single donor properties of valley-orbit coupling and the spatial extent of donor wave functions, highlighting the importance of fitting measured values of hyperfine coupling and the orbital energy of the $1s$ levels. Ours is a simple framework that can be applied flexibly to a range of experimental scenarios, but it is nonetheless able to provide fast and reliable predictions. We use it to estimate the exchange coupling between two donor electrons and we find a smoothing of its expected oscillations, and predict a monotonic dependence on separation if two donors are spaced precisely along the [100] direction.
Ensembles of bismuth donor spins in silicon are promising storage elements for microwave quantum memories due to their long coherence times which exceed seconds. Operating an efficient quantum memory requires achieving critical coupling between the spin ensemble and a suitable high-quality factor resonator -- this in turn requires a thorough understanding of the lineshapes for the relevant spin resonance transitions, particularly considering the influence of the resonator itself on line broadening. Here, we present pulsed electron spin resonance measurements of ensembles of bismuth donors in natural silicon, above which niobium superconducting resonators have been patterned. By studying spin transitions across a range of frequencies and fields we identify distinct line broadening mechanisms, and in particular those which can be suppressed by operating at magnetic-field-insensitive `clock transitions. Given the donor concentrations and resonator used here, we measure a cooperativity $Csim 0.2$ and based on our findings we discuss a route to achieve unit cooperativity, as required for a quantum memory.
We present a complete theoretical treatment of Stark effects in doped silicon, whose predictions are supported by experimental measurements. A multi-valley effective mass theory, dealing non-perturbatively with valley-orbit interactions induced by a donor-dependent central cell potential, allows us to obtain a very reliable picture of the donor wave function within a relatively simple framework. Variational optimization of the 1s donor binding energies calculated with a new trial wave function, in a pseudopotential with two fitting parameters, allows an accurate match of the experimentally determined donor energy levels, while the correct limiting behavior for the electronic density, both close to and far from each impurity nucleus, is captured by fitting the measured contact hyperfine coupling between the donor nuclear and electron spin. We go on to include an external uniform electric field in order to model Stark physics: With no extra ad hoc parameters, variational minimization of the complete donor ground energy allows a quantitative description of the field-induced reduction of electronic density at each impurity nucleus. Detailed comparisons with experimental values for the shifts of the contact hyperfine coupling reveal very close agreement for all the donors measured (P, As, Sb and Bi). Finally, we estimate field ionization thresholds for the donor ground states, thus setting upper limits to the gate manipulation times for single qubit operations in Kane-like architectures: the Si:Bi system is shown to allow for A gates as fast as around 10 MHz.
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 discussed. The most accurate instances -- for which we provide quantitative results -- are within multivalley effective mass including the central cell correction and a configuration interaction account of the electron-electron correlations. We also derive insightful, yet less accurate, analytical approximations and discuss their validity and limitations -- in particular, for a donor pair, we discuss the single orbital LCAO method, the Huckel approximation and the Hubbard model. Finally we discuss the connection between these results and recent experiments on few dopant devices.
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