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arXiv:1604.01749

Quantum Wigner molecules in semiconductor quantum dots and cold-atom optical traps and their mathematical symmetries

Constantine Yannouleas, Uzi Landman

Published Apr 6, 2016• 0 citations
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Abstract

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.

DOI
10.48550/arxiv.1604.01749

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•Jan 1, 2007•0 citations
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.
Investigations of emergent symmetry breaking phenomena occurring in small finite-size systems are reviewed, with a focus on the strongly correlated regime of electrons in two-dimensional semiconductor quantum dots and trapped ultracold bosonic atoms in harmonic traps. Throughout the review we emphasize universal aspects and similarities of symmetry breaking found in these systems, as well as in more traditional fields like nuclear physics and quantum chemistry, which are characterized by very different interparticle forces. A unified description of strongly correlated phenomena in finite systems of repelling particles (whether fermions or bosons) is presented through the development of a two-step method of symmetry breaking at the unrestricted Hartree-Fock level and of subsequent symmetry restoration via post Hartree-Fock projection techniques. Quantitative and qualitative aspects of the two-step method are treated and validated by exact diagonalization calculations.Strongly-correlated phenomena emerging from symmetry breaking include the following.Chemical bonding, dissociation and entanglement (at zero and finite magnetic fields) in quantum dot molecules and in pinned electron molecular dimers formed within a single anisotropic quantum dot, with potential technological applications to solid-state quantum-computing devices.Electron crystallization, with particle localization on the vertices of concentric polygonal rings, and formation of rotating electron molecules (REMs) in circular quantum dots. Such electron molecules exhibit ro-vibrational excitation spectra, in analogy with natural molecules.At high magnetic fields, the REMs are described by parameter-free analytic wave functions, which are an alternative to the Laughlin and composite-fermion approaches, offering a new point of view of the fractional quantum Hall regime in quantum dots (with possible implications for the thermodynamic limit).Crystalline phases of strongly repelling bosons. In rotating traps and in analogy with the REMs, such repelling bosons form rotating boson molecules (RBMs). For a small number of bosons, the RBMs are energetically favored compared with the Gross-Pitaevskii solutions describing vortex formation.We discuss the present status concerning experimental signatures of such strongly correlated states, in view of the promising outlook created by the latest experimental improvements that are achieving unprecedented control over the range and strength of interparticle interactions.
The paper reviews the theoretical and experimental progress achieved in the last 25 years in understanding the novel physics of artificial atoms and molecules as arising from the formation of Wigner molecules (WMs) of localized (to a stronger or lesser extent) fermionic or bosonic particles, which are finite quantum analogs of the more familiar bulk Wigner crystal (WC). The term artificial atoms, as used here, encompasses a broad range of recently fabricated quantum nanodevices and experimental apparatuses consisting of a finite number of mutually repelling confined particles, including two-dimensional semiconductor and moiré transition metal dichalcogenide quantum dots, as well as trapped ultracold neutral atoms or ions. These nano-sized or micro-sized artificial devices and apparatuses (in single well or multi-well of variable-shape arrangements) hold a great promise for technological applications in the field of quantum information and quantum computers, as well as for advances in fundamental many-body physics. Prominent quantum effects of Wigner molecularization (WM) are the strong quenching of the spectral energy gaps, the appearance of rovibational spectra (in analogy with natural molecules), entanglement, and pinning due to an external perturbation. In high magnetic fields or at rapid rotation, Wigner molecules (WMs) provide an alternative theory to the fractional quantum Hall effect. The physics of WMs is shown to derive from the solutions of the many-body Schrödinger equation (MBSE) in the regime of strong interparticle correlations arising from the dominance of the potential over the kinetic energy, or from a high magnetic field, as well as from a rapid rotation. With the help of a hierarchical scheme of computational approaches involving group-theoretical projection techniques beyond the mean field and exact configuration interaction, in parallel to experimental investigations, WMs are shown to provide an ideal platform for investigating the interplay between symmetry-preserving (stationary, referred to as rotating or sliding WMs) and broken-symmetry (superposition-necessitating, referred to as pinned or static WMs) solutions of the MBSE. In the process, a germane view of the phenomenon of symmetry breaking, based exclusively on finite systems and referred to as emergent symmetry breaking, is developed as a replacement to the formalistic spontaneous symmetry breaking that requires invocation of a singular thermodynamic limit. Attention is drawn to the counterintuitive fact that the very MBSE, which was inspired by de Broglie's undulatory matter waves and successfully explained the shell structure of delocalized electrons in atomic physics, is nevertheless capable of yielding contrasting solutions, which relate to corpuscular geometries of localized particles. This unforeseen behavior classifies the recent developments concerning WM and WC as an example of weak emergence, and thus of an arrow of reductionist explanation according to Weinberg's reasoning. Finally, this review, demonstrating the unexpected mathematical effectiveness beyond original expectations of the Schrödinger equation, is dedicated as a tribute to its 100 year anniversary.
The fractional quantum Hall effect (FQHE) is theoretically investigated, with numerical and algebraic approaches, in assemblies of a few spinful ultracold neutral fermionic atoms, interacting via repulsive contact potentials and confined in a single rapidly rotating two-dimensional harmonic trap. Going beyond the commonly used second-order correlations in the real configuration space, the methodology in this paper will assist the analysis of experimental observations by providing benchmark results for NNN-body spin-unresolved, as well as spin-resolved, momentum correlations measurable in time-of-flight experiments with individual particle detection. Our analysis shows that the few-body lowest-Landau-level (LLL) states with good magic angular momenta exhibit inherent ordered quantum structures in the NNN-body correlations, similar to those associated with rotating Wigner molecules (WMs), familiar from the field of semiconductor quantum dots under high magnetic fields. The application of a small perturbing stirring potential induces, at the ensuing avoided crossings, formation of symmetry-broken states exhibiting ordered polygonal-ring structures, explicitly manifest in the single-particle density profile of the trapped particles. Away from the crossings, an LLL state obtained from exact diagonalization of the microscopic Hamiltonian, found to be well described by a (1,1,1) Halperin two-component variational wave function, represents also a spinful rotating WM. Analysis of the calculated LLL wave function enables a two-dimensional generalization of the Girardeau one-dimensional ``fermionization'' scheme, originally invoked for mapping of bosonic-type wave functions to those of spinless fermions.
Quantum Wigner molecules (WMs) in strongly interacting few-body fermionic moir\'e quantum dots in twisted bilayers of transition metal dichalcogenide (TMD) materials are uncovered via full configuration interaction calculations, going beyond the Aufbau principle of natural atoms and Hubbard modeling. Nested polygonal sliding rings of localized fermions, hidden in the exact particle densities, are revealed through wavefunction correlation analysis [see (3,9) and (1,6,10) electron WMs in 2D semiconductors], broadening the WM portfolio to include the TMD trilobal symmetry as an added resource in twistronics, and providing benchmarks for AI-based many-body computations.
Exploring strongly correlated spinful states of few fermionic ultracold atoms in a rapidly rotating trap, an example of which was recently realized for two fermionic 6^66Li atoms in an optical tweezer, we derive analytical (algebraic) total-spin-eigenstate wavefunctions through the development and employment of a theoretical platform that integrates exact numerical diagonalization (full configuration interaction, FCI) with symbolic language processing. For such rapid rotations, where the atoms occupy the lowest Landau level (LLL), the obtained algebraic expressions can address the full LLL spectrum in all its complexity, demonstrating that their spatial, spectral, and spin characteristics manifest formation of collectively rotating and vibrating Wigner molecules. The explicitly exhibited analytic wavefunctions (for two and three spinful 6^66Li atoms) reproduce precisely the corresponding numerical FCI results, and they are shown to reach beyond the limited range of applicability of previous Jastrow-type treatments. These results, and their extension to bosonic systems, provide the impetus and analysis tools for future experimental and theoretical simulations of larger mesoscopic systems
This dissertation investigates properties of two-dimensional many-body systems. Studies are performed using the Spin-Density Functional Theory with the Local Spin-Density Approximation, and numerical exact diagonalization. The properties studied include symmetry-breaking states in few-electron quantum dots, gaps in confined few-body systems, magnetic properties of cold fermionic atoms in optical lattices, and vortex formation in few-body systems. The dissertation also studies the properties of the SDFT-LSDA method for many-body calculations itself. The dissertation comprises five original papers, which are presented following an introduction to the fields of research, and the methods used, and the systems studied. Paper I investigates symmetry-breaking states in quantum dots, and the reliability of SDFT-LSDA for such systems. It is found that SDFT-LSDA may introduce artificial energy splittings between the members of a degenerate spin multiplet in the ground state. Paper II investigates the reliability of SDFT-LSDA when used to calculate gaps, and addition and removal energies in few-body systems. It is found that, contrary to studies of atoms and bilk solids, Kohn-Sham eigenvalues can be used to calculate addition and removal energies in parabolically confined systems. Also, in Paper II, van der Waals blockade is predicted to occur in systems of cold atoms, in analogy to Coulomb blockade in electronic systems. In Papers III and IV, mean-field theory is used to study the magnetic properties of cold fermionic atoms in an optical lattice. The results are compared with a similar study for quantum-dot lattices. It is found that there is a rich magnetic phase diagram, with non-magnetic, ferromagnetic, and anti-ferromagnetic states. The phase diagram of the optical lattice is found to be very similar to the phase diagram of the quantum-dot lattice. Paper V uses exact diagonalization to study vortex formation in rotating few-body quantum systems. Systems consisting of Coulomb-interacting fermions (electrons), Coulomb-interacting bosons, and bosons with a short-range interaction are studied. It is found that vortex formation in these systems has universal properties.