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arXiv:0710.4325 · Physical Review B

Three-electron anisotropic quantum dots in variable magnetic fields: Exact results for excitation spectra, spin structures, and entanglement

Yuesong Li, Constantine Yannouleas, Uzi Landman

Published Dec 11, 2007• 37 citations
arXivHTMLPDF

Abstract

Exact-diagonalization calculations for $N=3$ 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 ${S}_{z}=1∕2$ are similar to the representative class of strongly entangled states referred to as the $W$ 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.

DOI
10.1103/physrevb.76.245310

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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.
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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.
This thesis investigates the use of wave-function methods for the study of quantum-dot systems. It investigates single dots, using quantum Monte Carlo techniques in a wide range of magnetic field values, and a double-dot system, using the exact-diagonalization method.\n\nThe thesis proposes simple yet accurate many-particle wave functions for various angular-momentum and spin states, for both weak and strong magnetic fields. Using these trial wave functions, it evaluates various properties of dots and studies Wigner crystallization and spin polarization for the weak-field limit. For strong magnetic fields, the thesis investigates ground states of different spin polarizations as a function of the magnetic field and tests the commonly used lowest-Landau-level approximation. The results are compared to calculations from the density-functional theory.\n\nFinally, the thesis presents a method that combines the accuracy of the exact-diagonalization method and the scalability of Monte Carlo methods. The Monte Carlo-based diagonalization is a promising tool for use in situations that cannot be handled with a simple trial wave function, and have too many particles for an exact-diagonalization treatment. For quantum dots, methods for efficiently evaluating the high-magnetic-field basis functions and their gradients are demonstrated.
Strong repelling interactions between a few fermions or bosons confined in two-dimensional circular traps lead to particle localization and formation of quantum Wigner molecules (QWMs) possessing definite point-group space symmetries. These point-group symmetries are "hidden" (or emergent), namely they cannot be traced in the circular single-particle densities (SPDs) associated with the exact many-body wave functions, but they are manifested as characteristic signatures in the ro-vibrational spectra. An example, among many, are the few-body QWM states under a high magnetic field or at fast rotation, which are precursor states for the fractional quantum Hall effect. The hidden geometric symmetries can be directly revealed by using spin-resolved conditional probability distributions, which are extracted from configuration-interaction (CI), exact-diagonalization wave functions. The hidden symmetries can also be revealed in the CI SPDs by reducing the symmetry of the trap (from circular to elliptic to quasi-linear). In addition the hidden symmetries are directly connected to the explicitly broken-symmetry (BS) solutions of mean-field approaches, such as unrestricted Hartree-Fock (UHF). A companion step of restoration of the broken symmetries via projection operators applied on the BS-UHF solutions produces wave functions directly comparable to the CI ones, and sheds further light into the role played by the emergence of hidden symmetries in the exact many-body wave functions. Illustrative examples of the importance of hidden symmetries in the many-body problem of few electrons in semiconductor quantum dots and of few ultracold atoms in optical traps (where unprecedented control of the interparticle interaction has been experimentally achieved recently) will be presented.
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