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Europhysics Letters (EPL)

Spin response of unpolarized quantum dots

Llorenç Serra, E. Lipparini

Published Dec 15, 1997• 331 citations
Publisher

Abstract

The spin response function for electrons confined in a quantum dot is studied within the time-dependent local spin density approximation (TDLSDA) of density functional theory. In the long-wavelength regime we predict the existence of a low-energy collective dipole (ℓ = 1) spin mode. The evolution with electron number of the spin response is studied and compared with that of the density response. Predictions for the static dipole polarizability are given.

DOI
10.1209/epl/i1997-00520-y

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The spin response function for electrons confined in a quantum dot is studied within the time-dependent local spin density approximation (TDLSDA) of density functional theory. In the long-wavelength regime we predict the existence of a low-energy collective dipole (ℓ = 1) spin mode. The evolution with electron number of the spin response is studied and compared with that of the density response. Predictions for the static dipole polarizability are given.
We perform a time-dependent local spin density approximation (TDLSDA) study of one-dimensional Fermions with a contact interaction. We show that the simple TDLSDA approximation provides an exact description for density and spin density modes and conductance GGG in one-dimensional quantum wires, by establishing a general equivalence between TDSLDA and Tomonaga-Luttinger model for the elementary excitation spectra in one-dimensional Fermi systems. The role of interaction effects is carefully analyzed especially in relation to the problem of the universality of the result G=2e2/hG=2{e}^{2}/hG=2e2/h for the conductance of one-dimensional systems. Finally our results are in good agreement with the available experimental data on the one-dimensional plasmon dispersion, and conductance in GaAs quantum wires.
We study both static and transport properties of model quantum dots, employing density functional theory as well as (numerically) exact methods. For the lattice model under consideration the accuracy of the local-density approximation generally is poor. For weak interaction, however, accurate results are achieved within the optimized effective potential method, while for intermediate interaction strengths a method combining the exact diagonalization of small clusters with density functional theory is very successful. Results obtained from the latter approach yield very good agreement with density matrix renormalization group studies, where the full Hamiltonian consisting of the dot and the attached leads has to be diagonalized. Furthermore we address the question of whether static density functional theory is able to predict the exact linear conductance through the dot correctly---with, in general, a negative answer.
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
Introduction and guide to the chapter Linear response functions contain a wealth of information about the physical properties of a many-body system. In the case of the electron liquid, for example, the density–density response function provides a unified framework for the understanding of different phenomena such as static screening, effective interaction, collective modes, electron energy loss spectra (inelastic scattering of electrons), and Raman spectra (inelastic scattering of photons). The spin–spin response function provides the corresponding information for the spin density fluctuations as probed, for example, by cross-polarized Raman scattering experiments, in which the incident and scattered photon have perpendicular polarizations, or by spin-flip electron energy loss spectroscopy, in which the incoming and outgoing electrons have opposite spin orientations. As we have seen, the Hartree–Fock approximation describes each electron as an independent particle moving in a self-consistent field generated by all the other electrons. There is no correlation between this self-consistent field and the instantaneous position of the electron. Reality is however quite different: whenever an electron moves, it acts on the surrounding electrons, causing a collective disturbance which eventually feeds back on its own motion. In order to study these effects we need, first of all, to learn how the electron liquid as a whole responds to disturbances caused by the charge, the spin, and the current of a single electron. The linear response theory of Chapter 3 provides the natural framework for this description. Strictly speaking, the linear response functions describe the readjustments of the electronic density, spin, or current, in response to externally controlled fields.
Based on its known exact properties and a new set of extensive fixed-node reptation quantum Monte Carlo simulations (both with and without backflow correlations, which in this case turn out to yield negligible improvements), we propose an analytical representation of (i) the spin-summed pair-distribution function and (ii) the spin-resolved potential energy of the ideal two-dimensional interacting electron gas for a wide range of electron densities and spin polarization, plus (iii) the spin-resolved pair-distribution function of the unpolarized gas. These formulas provide an accurate reference for quantities previously not available in analytic form, and may be relevant to semiconductor heterostructures and quantum dots both directly, in terms of phase diagram and spin susceptibility, and indirectly, as key ingredients for the construction of new two-dimensional spin density functionals, beyond the local approximation.