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
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
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.
This paper presents a few case studies of finite electron systems for which strong correlations play a dominant role. In simple metal clusters, the valence electrons determine the stability and shape of the clusters. The ionic skeleton of alkali metals is soft, and cluster geometries are often solely determined by electron correlations. In quantum dots and rings, the electrons may be confined by an external electrostatic potential formed by a gated heterostructure. In the low-density limit, the electrons may form the so-called Wigner molecules, for which the many-body quantum spectra reveal the classical vibration modes. High rotational states increase the tendency for the electrons to localize. At low angular momenta, the electrons may form a quantum Hall liquid with vortices. In this case, the vortices act as quasi-particles with long-range effective interactions that localize in a vortex molecule, in much analogy with the electron localization at strong rotation.
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.
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.
The quantum Hall effect observed in a two-dimensional electron gas exposed to a perpendicular magnetic field is one of the most important modern discoveries in condensed matter physics. Advances in technology have allowed both experimental and computer-based theoretical study of miniature-size counterparts of conventional quantum Hall devices. Due to their versatile tunable electronic and magnetic properties, these systems show great promise for future technological applications. This work investigates two-dimensional semiconductor quantum dots and extended quantum rings in the quantum Hall regime. Besides being interesting on purely theoretical grounds as experimentally reachable extreme quantum-mechanical interacting many-body systems, the systems considered have major applicational interest in the realm of quantum information processing. Our emphasis lies in the strongly correlated regime where the enhanced electron-electron interactions lead to a computationally hard problem. For the systems with a few electrons, we employ the in principle exact configuration interaction method, which allows accurate study of the effects of the confinement potential and the effective form of the electron-electron interaction. Larger systems are modeled by Monte Carlo and density functional based methods. Moreover, we develop a computational method based on the reduced density-matrix functional theory to study the physics at the strongly correlated fractional quantum Hall regime with large particle numbers. The main results are related to the interplay of electron correlation and magnetism as well as the effects of tuning the electron correlation through sample engineering. The results on magnetism may find applications in future spintronics devices and spin qubits. Meanwhile, the results on electron correlation are relevant for the attempts to utilize fractional quantum Hall states in topologically protected quantum computing.
Variational two-electron reduced-density-matrix (2RDM) theory is applied to computing energy spectra and properties of few-electron quantum dots. The model system is a two-dimensional electron gas with a central confinement potential. For each orbital angular momentum J, the energy and 2RDM are computed by the variational 2RDM method in which the energy is minimized as a functional of the 2RDM. In the minimization, which is performed by semidefinite programming, the 2RDM is constrained to represent a N-electron wave function with angular momentum J by N- and J-representability conditions [D. A. Mazziotti, Phys. Rev. Lett. 93, 213001 (2004)]. Advantages of the variational 2RDM method include (i) lower bounds on the energies for all J values, (ii) calculation of approximate 2RDMs in polynomial time without many-electron wave functions, (iii) exploitation of angular symmetry in the sparse block-diagonal structure of the 2RDM, (iv) accurate description of multireference correlation (entanglement) effects, and (v) direct calculation of one- and two-electron properties from the 2RDM. With the 2RDM we directly compute pair-correlation functions, radial charge densities, and average radial electron displacements in the quantum dot. Energies and properties are compared to those from solving the N-electron Schr\"odinger equation by large-scale, exact diagonalization. It is found that the accuracy of the variational 2RDM approach is sensitive to the total orbital angular momentum and the symmetry of the final wave function. For quantum dots of high symmetry, the variational algorithm isolates a highly accurate solution that recovers the correlation energy within a few percent.