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arXiv:0907.1571 · Physical Review B

Artificial quantum-dot helium molecules: Electronic spectra, spin structures, and Heisenberg clusters

Ying Li, Constantine Yannouleas, Uzi Landman

Published Jul 30, 2009• 22 citations
arXivHTMLPDF

Abstract

Energy spectra and spin configurations of a system of $N=4$ electrons in lateral double quantum dots (quantum dot helium molecules) are investigated using exact diagonalization (EXD), as a function of interdot separation, applied magnetic field $(B)$, and strength of interelectron repulsion. As a function of the magnetic field, the energy spectra exhibit a low-energy band consisting of a group of six states, with the number six being a consequence of the conservation of the total spin and the ensuing spin degeneracies for four electrons. The energies of the six states appear to cross at a single value of the magnetic field, and with increasing Coulomb repulsion they tend to become degenerate, with a well-defined energy gap separating them from the higher-in-energy excited states. The appearance of the low-energy band is a consequence of the formation of a Wigner supermolecule, with the four electrons (two in each dot) being localized at the vertices of a rectangle. Using spin-resolved pair-correlation distributions, a method for mapping the complicated EXD many-body wave functions onto simpler spin functions associated with a system of four localized spins is introduced. Detailed interpretation of the EXD spin functions and EXD spectra associated with the low-energy band via a four-site Heisenberg cluster (with $B$-dependent exchange integrals) is demonstrated. Aspects of spin entanglement, referring to the well-known $N$-qubit Dicke states, are also discussed.

DOI
10.1103/physrevb.80.045326

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Energy spectra and spin configurations of a system of N=4N=4N=4 electrons in lateral double quantum dots (quantum dot helium molecules) are investigated using exact diagonalization (EXD), as a function of interdot separation, applied magnetic field (B)(B)(B), and strength of interelectron repulsion. As a function of the magnetic field, the energy spectra exhibit a low-energy band consisting of a group of six states, with the number six being a consequence of the conservation of the total spin and the ensuing spin degeneracies for four electrons. The energies of the six states appear to cross at a single value of the magnetic field, and with increasing Coulomb repulsion they tend to become degenerate, with a well-defined energy gap separating them from the higher-in-energy excited states. The appearance of the low-energy band is a consequence of the formation of a Wigner supermolecule, with the four electrons (two in each dot) being localized at the vertices of a rectangle. Using spin-resolved pair-correlation distributions, a method for mapping the complicated EXD many-body wave functions onto simpler spin functions associated with a system of four localized spins is introduced. Detailed interpretation of the EXD spin functions and EXD spectra associated with the low-energy band via a four-site Heisenberg cluster (with BBB-dependent exchange integrals) is demonstrated. Aspects of spin entanglement, referring to the well-known NNN-qubit Dicke states, are also discussed.
Energy spectra, spin configurations, and entanglement characteristics of a system of four electrons in lateral double quantum dots are investigated using exact diagonalization (EXD), as a function of interdot separation, applied magnetic field, and strength of interelectron repulsion. A distinctly different quantum behavior is found compared to that of circular single quantum dots. As a function of the magnetic field, the energy spectra exhibit a low-energy band consisting of a group of six states, with the number six being a consequence of the conservation of the total spin of the four electrons and the ensuing spin degeneracies. These six states appear to cross at a single value of the magnetic field, with the crossing point becoming sharper for larger interdot distances. As the strength of the Coulomb repulsion increases, the six states tend to become degenerate and a well defined energy gap separates them from the higher-in-energy excited states. The appearance of the low-energy band is a consequence of the formation of a Wigner supermolecule, with the four electrons (two in each dot) being localized at the vertices of a rectangular parallelogram. Using the spin-resolved pair-correlation functions, one can map the EXD many-body wave functions onto the spin functions associated with the four localized electrons. Analogies with nanomagnets, such as finite Heisenberg clusters, are discussed. The ability to determine associated spin functions enables investigations concerning entanglement properties of the system of four electrons. In particular, the formation of Wigner supermolecules generates EXD solutions belonging to the class of strongly entangled states referred to as N-qubit Dicke states in the quantum-information literature.
Exact-diagonalization calculations for N=3N=3N=3 electrons in anisotropic quantum dots, covering a broad range of confinement anisotropies and strength of interelectron repulsion, are presented for zero and low magnetic fields. The excitation spectra are analyzed as a function of the strength of the magnetic field and for increasing quantum-dot anisotropy. Analysis of the intrinsic structure of the many-body wave functions through spin-resolved two-point correlations reveals that electrons tend to localize forming Wigner molecules. For certain ranges of dot parameters (mainly at strong anisotropy), the Wigner molecules acquire a linear geometry, and the associated wave functions with a spin projection Sz=1∕2{S}_{z}=1∕2Sz​=1∕2 are similar to the representative class of strongly entangled states referred to as the WWW states. For other ranges of parameters (mainly at intermediate anisotropy), the Wigner molecules exhibit a more complex structure consisting of two mirror isosceles triangles. This latter structure can be viewed as an embryonic unit of a zigzag Wigner crystal in quantum wires. The degree of entanglement in three-electron quantum dots can be quantified through the use of the von Neumann entropy.
Quantum dot structures confine electrons in a small region of space. Some properties of semiconductor quantum dots, such as the discrete energy levels and shell filling effects visible in addition spectra, have analogies to those of atoms and indeed dots are sometimes referred to as 'artificial atoms'. However, atoms and dots show some fundamental differences due to electron correlations. For real atoms, the kinetic energy of electrons dominates over their mutual Coulomb repulsion energy and for this reason the independent electron approximation works well. For quantum dots the confining potential may be shallower than that of real atoms leading to lower electron densities and a dominance of mutual Coulomb repulsion over kinetic energy. In this strongly correlated regime the independent electron picture leads to qualitatively incorrect results. This thesis concentrates on few-electron quantum dots in the strongly correlated regime both for quasi-one-dimensional and two-dimensional dots in a square confining potential. In this so-called 'Wigner' regime the ground-state electronic charge density is localised near positions of classical electrostatic minima and the interacting electronic spectrum consists of well separated spin multiplets. In the strongly correlated regime the structure of low-energy multiplets is explained by mapping onto lattice models with extended-Hubbard and Heisenberg effective Hamiltonians. The parameters for these effective models are calculated within a Hartree approximation and are shown to reproduce well the exact results obtained by numerical diagonalisation of the full interacting Hamiltonian. Comparison is made between square dots and quantum rings with full rotational symmetry. In the very low-density regime, direct diagonalisation becomes impractical due to excessive computer time for convergence. In this regime a numerical renormalisation group method is applied to one-dimensional dots, enabling effective spin-interactions to be pr
The orbital, spin and valley degrees of freedom in silicon quantum dots support many modes of spin qubit operation. However, it is generally challenging to obtain information about the energy level spectrum over large ranges of parameter space. We demonstrate a form of spectroscopy that is capable of mapping the energy level structure of a double quantum dot as a function of level detuning, interdot tunnel coupling, and magnetic field. In the one electron regime, we directly observe the transition from the atom like energy levels of isolated quantum dots to molecular like bonding and anti bonding states with increasing interdot tunnel coupling. We also resolve the Zeeman splitting of ground and excited valley states in a magnetic field. In the two electron regime, we gain access to the detuning dependent singlet triplet splitting. Our work may be extended to a broader class of systems, such as strong spin-orbit materials or proximitized quantum dots, allowing the direct extraction of various energy gaps.
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 explore the correlations and entanglements of exact-diagonalized few-electron wave functions in a quantum dot in magnetic fields without the Zeeman splitting. With the increase of the field, the lowest states with different spins gradually form a narrow band and the electronic states undergo a transition from liquids to rotating Wigner molecules which are accompanied by different characters of charge correlations. For both the liquid and crystal states, the spin conditional probability densities show magnetic couplings between the particles which depend on the particle numbers, the total spins and the angular momenta of the states. The von Neumann entropies show the spin-dependent entanglements between electrons. The regular magnetic-coupling oscillations and converging entanglement entropies emerge in the rotating Wigner molecular states.