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arXiv:cond-mat/0406258 · Physical Review B

Electron correlations in two-dimensional small quantum dots

Clare Sloggett, Oleg P. Sushkov

Published Jun 24, 2005• 12 citations
arXivHTMLPDF

Abstract

We consider circular and elliptic quantum dots with parabolic external confinement, containing 0--22 electrons and with values of ${r}_{s}$ in the range $0<{r}_{s}<3$. We perform restricted and unrestricted Hartree-Fock calculations, and further take into account electron correlations using second-order perturbation theory. We demonstrate that in many cases correlations qualitatively change the spin structure of the ground state from that obtained under Hartree-Fock and spin-density-functional calculations. In some cases the correlation effects destroy Hund's rule. We also demonstrate that the correlations destroy static spin-density waves observed in Hartree-Fock and spin-density-functional calculations.

DOI
10.1103/physrevb.71.235326

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We consider circular and elliptic quantum dots with parabolic external confinement, containing 0--22 electrons and with values of rs{r}_{s}rs​ in the range 0<rs<30<{r}_{s}<30<rs​<3. We perform restricted and unrestricted Hartree-Fock calculations, and further take into account electron correlations using second-order perturbation theory. We demonstrate that in many cases correlations qualitatively change the spin structure of the ground state from that obtained under Hartree-Fock and spin-density-functional calculations. In some cases the correlation effects destroy Hund's rule. We also demonstrate that the correlations destroy static spin-density waves observed in Hartree-Fock and spin-density-functional calculations.
We explore the correlated electron states in harmonically confined few-electron quantum dots in an external magnetic field by the path-integral Monte Carlo method for a wide range of the field and the Coulomb interaction strength. Using the phase structure of a preceding unrestricted Hartree-Fock calculation for phase fixing, we find a rich variety of correlated states, often completely different from the prediction of mean-field theory. These are finite temperature results, but sometimes the correlations saturate with decreasing temperature, providing insight into the ground-state properties.
We report diffusion quantum Monte Carlo (DQMC) calculations of disordered quantum dots in the presence of an external magnetic field. The addition spectra, spin configuration, Hund's rule, and many-body densities are investigated up to 13 electrons. The data from DQMC is in excellent agreement with exact diagonalization for disorder-free quantum dots, and in marked difference with those obtained from unrestricted Hartree-Fock method. The energetic competition to electron-electron interaction due to disorder is found to change the transition energy between spin states, but the closed shell Hund's rule is maintained for the disorder strength considered here. The DQMC many-body density is found to be rather smooth.
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 ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and quantified as a function of electron doping, h. In the solution of the self-consistent UHF equations, multiple initial configurations and simulated annealing are used to facilitate convergence to the global minimum. New approaches are employed to minimize finite-size effects in order to reach the thermodynamic limit. At low to moderate interacting strengths and low doping, the UHF ground state is a linear spin-density wave (l-SDW), with antiferromagnetic order and a modulating wave. The wavelength of the modulating wave is 2/h. Corresponding charge order exists but is substantially weaker than the spin order, hence holes are mobile. As the interaction is increased, the l-SDW states evolve into several different phases, with the holes eventually becoming localized. A simple pairing model is presented with analytic calculations for low interaction strength and small doping, to help understand the numerical results and provide a physical picture for the properties of the SDW ground state. By comparison with recent many-body calculations, it is shown that, for intermediate interactions, the UHF solution provides a good description of the magnetic correlations in the true ground state of the Hubbard model.
We consider an electrostatically induced square lattice of quantum dots and study the role of electron-electron correlations in the resulting electronic features of the system. We utilize the Wannier functions methodology to construct a Hamiltonian for interacting fermions, and find that the change of the depth of the quantum dot confining potential results in a transition from a moderately, to strongly correlated regime of the system. We obtain the approximate ground state by means of the variational Monte Carlo method for a wide range of dopings. The values of microscopic parameters, charge gap, as well as spin- and pair-correlation functions obtained in the strongly correlated regime signify the presence of antiferromagnetic spin ordering and the realization of the Mott insulator phase. Moreover, we report on a two-dome structure of the emerging ddd-wave paired state residing on both sides of the half-filled case. The obtained results are discussed in view of the well-known family of unconventional superconducting materials, such as copper-based compounds.
In this dissertation we use sophisticated numerical methods in order to examine ground-state (GS) properties of two types of quantum systems with electron electron interactions: A quantum dot (QD) and a nano-wire. In the first half of the work we study a system of a single level coupled to a one-dimensional wire with interacting spinless electrons, when the wire is either clean or disordered. We utilize the density-matrix renormalization-group (DMRG) method to investigate the influence of the level on several thermodynamic properties of the clean interacting wire, which can be in one of two phases: Tomonaga-Luttinger liquid and charge density wave phases. When the wire is disordered, we investigate the Friedel oscillations, exploring the difference between the two phases and comparing them to the clean non-interacting case, for which we develop an exact formula for the oscillations. In the second half of the dissertation we study two cases of an isolated two-dimensional QD. We begin by an investigation of a new numerical method, the particle-hole DMRG (PH-DMRG), which is used to calculate the GS energy of a disordered QD consisting of interacting spinless electrons. We show that this method is much more accurate than the Hartree-Fock method, and we suggest an improvement of the algorithm, which reduces the error rate by almost 30 percents. Finally we study the magnetization of a QD with spin 1/2 electrons, in the presence of spin-orbit coupling and interactions. We calculate the g-factor and the expectation values of the spin operators in the GS, and find that when the QD is occupied by an even number of electrons, the GS can have a finite magnetization.