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arXiv:1611.07186 · Physical Review A

Energy spectrum, exchange interaction, and gate crosstalk in a system with a pair of double quantum dots: A molecular-orbital calculation

Xu-Chen Yang, Xin Wang

Published May 12, 2017• 5 citations
arXivHTMLPDF

Abstract

We present a theoretical study of a four-electron four-quantum-dot system based on molecular-orbital methods, which hosts a pair of singlet-triplet spin qubits. We took into account the admixture of electron wave functions in all dots, and we found that this mixing of wave functions has consequences to the energy spectrum, exchange interaction, and gate crosstalk of the system. Specifically, we found that when the two singlet-triplet qubits are close enough, some of the states are no longer dominated by the computational basis states, and the exchange interaction cannot simply be understood as the energy difference between the singlet and triplet states. Using the Hund-Mulliken calculation of the Hubbard parameters, we characterized the effective exchange interaction of the system, and we found good agreement with results calculated by taking energy differences where applicable. We studied the two commonly conceived schemes coupling two qubits, namely the exchange and capacitive coupling, and we found that when the interqubit distance is at certain intermediate values, the two kinds of coupling are comparable in strength, complicating the analyses of the evolution of the two qubits. We also investigated the gate crosstalk in the system due to the quantum-mechanical mixing of electron states, and we found that while this effect is typically very weak, it should not be ignored if the spacing between the qubits is similar to or less than the distance between the double dots that constitute the qubit.

DOI
10.1103/physreva.95.052325

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We present a theoretical study of a four-electron four-quantum-dot system based on molecular-orbital methods, which hosts a pair of singlet-triplet spin qubits. We took into account the admixture of electron wave functions in all dots, and we found that this mixing of wave functions has consequences to the energy spectrum, exchange interaction, and gate crosstalk of the system. Specifically, we found that when the two singlet-triplet qubits are close enough, some of the states are no longer dominated by the computational basis states, and the exchange interaction cannot simply be understood as the energy difference between the singlet and triplet states. Using the Hund-Mulliken calculation of the Hubbard parameters, we characterized the effective exchange interaction of the system, and we found good agreement with results calculated by taking energy differences where applicable. We studied the two commonly conceived schemes coupling two qubits, namely the exchange and capacitive coupling, and we found that when the interqubit distance is at certain intermediate values, the two kinds of coupling are comparable in strength, complicating the analyses of the evolution of the two qubits. We also investigated the gate crosstalk in the system due to the quantum-mechanical mixing of electron states, and we found that while this effect is typically very weak, it should not be ignored if the spacing between the qubits is similar to or less than the distance between the double dots that constitute the qubit.
We consider a system of two purely capacitively coupled singlet-triplet qubits and numerically simulate the energy structure of four electrons in two double quantum dots with a large potential barrier between them. We calculate the interqubit coupling strength using an extended Hund-Mulliken approach which includes excited orbitals in addition to the lowest-energy orbital for each quantum dot. We show the coupling strength as a function of the qubit separation as well as plotting it against the detunings of the two double quantum dots and show that the general qualitative features of our results can be captured by a potential-independent toy model of the system.
The exchange interaction in a singlet-triplet qubit defined by two-electron states in the double-quantum-dot system (``two-electron singlet-triplet qubit'') typically varies monotonically with the exchange interaction and thus carries no sweet spot. Here we study a singlet-triplet qubit defined by four-electron states in the double-quantum-dot system (``four-electron singlet-triplet qubit''). We demonstrate, using configuration-interaction calculations, that in the four-electron singlet-triplet qubit the exchange energy as a function of detuning can be nonmonotonic, suggesting existence of sweet spots. We further show that the tuning of the sweet spot and the corresponding exchange energy by perpendicular magnetic field can be related to the variation of orbital splitting. Our results suggest that a singlet-triplet qubit with more than two electrons can have advantages in the realization of quantum computing.
We theoretically consider the effects of having unintentional charged impurities in laterally coupled two-dimensional double (GaAs) quantum-dot systems, where each dot contains one or two electrons and a single charged impurity. Using molecular orbital and configuration interaction methods, we calculate the effect of the impurity on the two-electron energy spectrum of each individual dot as well as on the spectrum of the coupled-double-dot two-electron system. We find that the singlet-triplet exchange splitting between the two lowest-energy states, both for the individual dots and the coupled-dot system, depends sensitively on the location of the impurity and its coupling strength (i.e. the effective charge). A strong electron-impurity coupling breaks down the equality of the two doubly occupied singlets in the left and the right dots, leading to a mixing between different spin singlets. As a result, the maximally entangled qubit states are no longer fully obtained in the zero-magnetic-field case. Moreover, a repulsive impurity results in a triplet-singlet transition as the impurity effective charge increases or the impurity position changes. We comment on the impurity effect in spin qubit operations in the double-dot system based on our numerical results.
We have used a hybrid vertical-lateral double quantum dot to study the excitation energy spectrum for one- and two-electron states, which are effectively formed on top of a certain core shell. We have observed bonding and antibonding states, and exchange coupled singlet and triplet states for the one- and two-electron states, respectively, and derived the interdot tunnel coupling and exchange coupling energies for various parameters of interdot level detuning, central gate voltage and magnetic field. The obtained exchange coupling energy is consistently reproduced by calculation using the Hund-Mulliken method.
We theoretically study a double-quantum-dot hydrogen molecule in the GaAs conduction band as the basic elementary gate for a quantum computer, with the electron spins in the dots serving as qubits. Such a two-dot system provides the necessary two-qubit entanglement required for quantum computation. We determine the excitation spectrum of two horizontally coupled quantum dots with two confined electrons, and study its dependence on an external magnetic field. In particular, we focus on the splitting of the lowest singlet and triplet states, the double occupation probability of the lowest states, and the relative energy scales of these states. We point out that at zero magnetic field it is difficult to have both a vanishing double occupation probability for a small error rate and a sizable exchange coupling for fast gating. On the other hand, finite magnetic fields may provide finite exchange coupling for quantum computer operations with small errors. We critically discuss the applicability of the envelope-function approach in the current scheme, and also the merits of various quantum-chemical approaches in dealing with few-electron problems in quantum dots, such as the Hartree-Fock self-consistent-field method, the molecular-orbital method, the Heisenberg model, and the Hubbard model. We also discuss a number of relevant issues in quantum dot quantum computing in the context of our calculations, such as the required design tolerance, spin decoherence, adiabatic transitions, magnetic-field control, and error correction.
We describe in detail a full configuration interaction (CI) method designed to analyze systems of quantum dots. This method is capable of exploring large regions of parameter space, like more approximate approaches such as Heitler London and Hund Mulliken, though it is not limited to weakly coupled dots. In particular, this method is well-suited to the analysis of solid state quantum-dot-based qubits, and we consider the case of a double quantum dot (DQD) singlet-triplet qubit. Past analyses have used techniques which are either substantially restricted in the regimes they can be used, or device specific and unsuited to exploration of a large regions of parameter space. We analyze how the DQD exchange energy, which is central to the operation of qubit rotation gates, depends on a generic set of system parameters including magnetic field, DQD detuning, dot size, and dot separation. We discuss the implications of these results to the construction of real devices. We provide a benchmark of the CI by directly comparing results from the CI method with exact results for two electrons in a single parabolic potential (dot).