We complete our recently introduced theoretical framework treating the double-quantum-dot system with a generalized form of Hubbard model. The effects of all quantum parameters involved in our model on the charge-stability diagram are discussed in detail. A general formulation of the microscopic theory is presented and, truncating at one orbital per site, we study the implication of different choices of the model confinement potential on the Hubbard parameters as well as the charge-stability diagram. We calculate the charge-stability diagram keeping three orbitals per site and find that the effect of additional higher-lying orbitals on the subspace with lowest-energy orbitals only can be regarded as a small renormalization of Hubbard parameters, thereby justifying our practice of keeping only the lowest orbital in all other calculations. The role of the harmonic-oscillator frequency in the implementation of the Gaussian model potential is discussed, and the effect of an external magnetic field is identified to be similar to choosing a more localized electron wave function in microscopic calculations. The full matrix form of the Hamiltonian, including all possible exchange terms and several peculiar charge-stability diagrams due to unphysical parameters, is presented in the Appendices, thus emphasizing the critical importance of a reliable microscopic model in obtaining the system parameters defining the Hamiltonian.
We complete our recently introduced theoretical framework treating the double-quantum-dot system with a generalized form of Hubbard model. The effects of all quantum parameters involved in our model on the charge-stability diagram are discussed in detail. A general formulation of the microscopic theory is presented and, truncating at one orbital per site, we study the implication of different choices of the model confinement potential on the Hubbard parameters as well as the charge-stability diagram. We calculate the charge-stability diagram keeping three orbitals per site and find that the effect of additional higher-lying orbitals on the subspace with lowest-energy orbitals only can be regarded as a small renormalization of Hubbard parameters, thereby justifying our practice of keeping only the lowest orbital in all other calculations. The role of the harmonic-oscillator frequency in the implementation of the Gaussian model potential is discussed, and the effect of an external magnetic field is identified to be similar to choosing a more localized electron wave function in microscopic calculations. The full matrix form of the Hamiltonian, including all possible exchange terms and several peculiar charge-stability diagrams due to unphysical parameters, is presented in the Appendices, thus emphasizing the critical importance of a reliable microscopic model in obtaining the system parameters defining the Hamiltonian.
We predict large regions of the charge stability diagram using a multiband and multielectron configuration interaction model of a double quantum dot system. We account for many-body interactions within each quantum dot using full configuration interaction and solve for single-particle density operators. This allows charge states to be predicted more accurately than the extensively used classical capacitance model or the single-band Hubbard model. The resulting single-particle mixed states then serve as inputs into an atomic orbital picture that allows for the explicit calculation of the underlying Hubbard model parameters by performing the appropriate integrals. This numerical approach allows for arbitrary choices of electrostatic potential and gate geometry. A common assumption when calculating charge stability diagrams from the Hubbard model is that the charge stability diagrams are periodic, but we find that the tunnel couplings for valence electrons in dots with N=3 electrons are significantly enhanced when compared to single-electron dots. This difference is apparent in the charge stability diagram for higher occupancy Coulomb diamonds. We also quantitatively explore how the barrier gate strength and dot pitch impact this behavior. Our work should help improve the future realistic modeling of semiconductor-dot-based quantum circuits.
We introduce a Hubbard model as the simple quantum generalization of the classical capacitance circuit model to study semiconductor quantum-dot spin qubits. We prove theoretically that our model is equivalent to the usual capacitance circuit model in the absence of quantum fluctuations. However, our model naturally includes quantum effects such as hopping and spin exchange. The parameters of the generalized Hubbard model can either be directly read off from the experimental plot of the stability diagram or be calculated from the microscopic theory, establishing a quantitative connection between the two. We show that, while the main topology of the charge stability diagram is determined by the ratio between intersite and on-site Coulomb repulsion, fine details of the stability diagram reveal information about quantum effects. Extracting quantum information from experiments using our Hubbard model approach is simple, but would require the measurement resolution to increase by an order of magnitude.
Serial triple quantum dot (STQD) systems have received extensive attention in the past decade, not only because quantum dot scaling up is an indispensable ingredient for integrations, but also due to the fact that specific charge states of STQD can be employed to achieve fast full-electrical manipulation of spin qubits. For the latter, a comprehensive understanding of the relationship between neighboring charge occupancy states of STQD is essential for three-electron exchange-only spin qubit-based quantum computations. Charge stability diagram is usually employed to map out the charge occupation states about the plunger gate voltages of STQDs and to study the degeneracy among charge occupation states. Experimentally, two- rather than three-dimensional charge stability diagram was obtained in a lot of early studies by keeping one of plunger gates unchanged to reduce complexity. The obtained two-dimensional diagram can only provide limited information and is subject to blurred boundary of charge occupation states due to the low tunneling current and the energy level broading effects. It is, therefore, challenge to searching for the working points where quantum manipulation can be performed promptly and accurately. In principle, three-dimensional charge occupation stability diagram can be efficiently constructed by numerical simulations based on constant interaction (CI) model. In this study, we calculate the electrochemical potential of STQD about three plunger gate voltages by using the CI model-based capacitance network to reproduce any desired two-dimensional charge stability diagram. The simulated diagram not only well accords with the diagrams obtained from the early experimental data of STQD, but also provides high clarity of the charge state boundaries with tunable parameters. The systematical study of two-dimensional charge stability diagram reviews the energy degeneracy triple and quadruple points of STQD charge occupation states and concludes the energy degeneracy points in three types to compare with experimental data. For each of the energy degeneracy points, we discuss both the electron and hole transport by using the electrochemical potential alignment schematics. We reveal the common and unique triple points of STQD in comparison with those of double quantum dot. The quadruple points of STQD are also addressed in the manipulation of quantum cellular automata and quantum logical gate. The comprehensive understanding of these energy degeneracy points can efficiently guide experiments to build an optimal working point of the STQD system for quantum computations and simulations.
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 apply a combination of numerical renormalization group (NRG) and renormalized perturbation theory (RPT) to a model of two quantum dots (impurities) described by two Anderson impurity models hybridized to their respective baths. The dots are coupled via a direct Coulomb interaction U12 and a spin exchange interaction J. The model has two types of quantum critical points, one at J=Jc to a local singlet state and one at U12=U12c to a locally charge ordered state. The renormalized parameters which determine the low energy behavior are calculated from the NRG. The results confirm the values predicted from the RPT on the approach to the critical points, which can be expressed in terms of a single energy scale T∗ in all cases. This includes cases without particle-hole symmetry, and cases with asymmetry between the dots, where there is also a transition at J=Jc. The results give a comprehensive quantitative picture of the behavior of the model in the low energy Fermi liquid regimes, and some of the conclusions regarding the emergence of a single energy scale may apply to a more general class of quantum critical points, such as those observed in some heavy fermion systems.
The states of two electrons in tunnel-coupled semiconductor quantum dots can be effectively described in terms of a two-spin Hamiltonian with an isotropic Heisenberg interaction. A similar description needs to be generalized in the case of holes due to their multiband character and spin-orbit coupling, which mixes orbital and spin degrees of freedom and splits j=3/2 and j=1/2 multiplets. Here we investigate two-hole states in prototypical coupled Si and Ge quantum dots via different theoretical approaches. Multiband $\mathbit{k}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbit{p}$ and configuration-interaction calculations are combined with entanglement measures in order to thoroughly characterize the two-hole states in terms of band mixing and justify the introduction of an effective spin representation, which we analytically derive a from generalized Hubbard model. We find that, in the weak interdot regime, the ground state and first excited multiplet of the two-hole system display---unlike their electronic counterparts---a high degree of J mixing, even in the limit of purely heavy-hole states. The light-hole component additionally induces M mixing and a weak coupling between spinors characterized by different permutational symmetries.