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Bulletin of the American Physical Society

Quantum Magnetic Field Effects on the Spectrum of a Double Dot System

Norman J. M. Horing, Jay D. Mancini

Published Mar 15, 2010• 0 citations
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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.

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AQUADUCT Ab Initio Quantum Dynamics Using Coupled Cluster in Time

Sebastian Gregorius Winther-Larsen

We advance the Coupled Cluster method’s in the time-dependent realm, by imple- menting a robust solver based on the orbital-adaptive time-dependent Coupled Cluster (OATDCC)[1] method. This involves implementing both a simplified static orbital time-dependent coupled cluster solver with single and double excitations (TDCCSD) and an orbital-adaptive scheme with double excitations (OATDCCD). To supplement the time-dependent methods we implement several ground state solvers based on the Lagrangian Coupled Cluster formulation, with single and double excitations, as well as a non-orthogonal orbital-optimised Coupled Cluster (NOCC) solver[2]. We construct several quantum dot basis sets with different potential functions in one- and two dimensions, including interactions with magnetic fields. What is more, we also implement an interface with popular quantum chemistry software modules PySCF[3] and Psi4[4] for extraction of additional basis sets for atoms and molecules. The quantum systems are allowed to vary with time by addition of a time-dependent term to the Hamiltonian, with which we simulate a laser field in the dipole approxima- tion. As a validation we reproduce results from the scientific literature, both for atoms, molecules and quantum dots. We show that our methods lead to convergence in the ever-increasing basis set size limit, for simple quantum dot systems. For the same quantum dot system, we show how sensitive a system is to changes in the frequency of a driving oscillating field. Frequencies closer to the resonant frequency lead to exctiations and increased energy. We are able to simulate systems that are fairly large - quantum dots in one- and two dimensions with up to twelve electrons. For systems that meander far from the reference state, we show that the orbital-adaptive method has far superior stability, compared with the method with static orbitals. For all quantum dot systems we find strong comformity with the harmonic potential theorem[5], yet we see a slight many-body effect for a two-dimensional double dot system. By subjecting the two-dimensional quantum dots to a homogoenous, static magnetic field in the form of an angular momentum operator, we see two frequencies in the dipole spectrum, instead of one frequency. This is also in accordance with the harmonic potential theorem. The difference between the two frequencies in the new spectrum is the same as the Larmor frequency of the magnetic field, within acceptable tolerance levels.

•Jan 1, 2019•1 citation
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 study effects of spin-orbit coupling and electron-electron correlation, which can be electrically tuned, on the singlet-triplet entanglement in double lateral quantum dots charged with two electrons. We have found that the magnetic character of a double-dot system can be changed from diamagnetic to paramagnetic, only by adjusting the strength of spin-orbit coupling. Coulomb interaction leads to an unusual singlet-triplet energy splitting, accompanied by a shift of this transition energy to the lower magnetic field side in the energy spectrum.
We advance the Coupled Cluster method’s in the time-dependent realm, by imple- menting a robust solver based on the orbital-adaptive time-dependent Coupled Cluster (OATDCC)[1] method. This involves implementing both a simplified static orbital time-dependent coupled cluster solver with single and double excitations (TDCCSD) and an orbital-adaptive scheme with double excitations (OATDCCD). To supplement the time-dependent methods we implement several ground state solvers based on the Lagrangian Coupled Cluster formulation, with single and double excitations, as well as a non-orthogonal orbital-optimised Coupled Cluster (NOCC) solver[2]. We construct several quantum dot basis sets with different potential functions in one- and two dimensions, including interactions with magnetic fields. What is more, we also implement an interface with popular quantum chemistry software modules PySCF[3] and Psi4[4] for extraction of additional basis sets for atoms and molecules. The quantum systems are allowed to vary with time by addition of a time-dependent term to the Hamiltonian, with which we simulate a laser field in the dipole approxima- tion. As a validation we reproduce results from the scientific literature, both for atoms, molecules and quantum dots. We show that our methods lead to convergence in the ever-increasing basis set size limit, for simple quantum dot systems. For the same quantum dot system, we show how sensitive a system is to changes in the frequency of a driving oscillating field. Frequencies closer to the resonant frequency lead to exctiations and increased energy. We are able to simulate systems that are fairly large - quantum dots in one- and two dimensions with up to twelve electrons. For systems that meander far from the reference state, we show that the orbital-adaptive method has far superior stability, compared with the method with static orbitals. For all quantum dot systems we find strong comformity with the harmonic potential theorem[5], yet we see a slight many-body effect for a two-dimensional double dot system. By subjecting the two-dimensional quantum dots to a homogoenous, static magnetic field in the form of an angular momentum operator, we see two frequencies in the dipole spectrum, instead of one frequency. This is also in accordance with the harmonic potential theorem. The difference between the two frequencies in the new spectrum is the same as the Larmor frequency of the magnetic field, within acceptable tolerance levels.