Magnetic properties of quantum dots and rings

Exact many-body methods as well as current-spin-density functional theory are used to study the magnetism and electron localization in two-dimensional quantum dots and quasi-one-dimensional quantum rings. Predictions of broken-symmetry solutions within the density functional model are confirmed by exact configuration interaction (CI) calculations: In a quantum ring the electrons localize to form an antiferromagnetic chain which can be described with a simple model Hamiltonian. In a quantum dot the magnetic field localizes the electrons as predicted with the density functional approach. Received 5 December 2000     

Rashba billiards

We study the energy levels of non-interacting electrons confined to move in two-dimensional billiard regions and having a spin-dependent dynamics due to a finite Rashba spin splitting. The free space Green's function for such Rashba billiards is constructed analytically and used to find the area and perimeter contributions to the density of states, as well as the corresponding smooth counting function. We show that, in contrast to systems with spin-rotational invariance, Rashba billiards always possess a negative energy spectrum. A semi-classical analysis is presented to interpret the singular behavior of the density of states at certain negative energies for circular Rashba billiards. Our detailed analysis of the spin structure of circular Rashba billiards reveals a finite out-of-plane spin projection for electron eigenstates.     

Estimating ground-state properties of quantum dot arrays using a local Thomas-Fermi-Dirac approximation

An exactly solvable local Thomas-Fermi-Dirac approximation is applied to the calculation of the ground-state density of three-dimensional quantum dot arrays, where we give estimates to properties like total energy, chemical potential, and differential capacitance. Numeric examples are calculated for pairs of quantum dots using a Gaussian confining potential. The computational complexity of the present method is linear in the number of electrons and centers of the system.     

Electronic structure of three-dimensional quantum dots

We study the electronic structure of three-dimensional quantum dots using the Hartree-Fock approximation. The confining potential of the electrons in the quantum dot is assumed to be spatially isotropic and harmonic. For up to 40 interacting electrons the ground-state energies and ground-state wavefunctions are calculated at various interaction strengths. The quadrupole moments and electron densities in the quantum dot are computed. Hund's rule is confirmed and a shell structure is identified via the addition energies and the quadrupole moments. While most of the shell structure can be understood on the basis of the unperturbed non-interacting problem, the interplay of an avoided crossing and the Coulomb interaction results in an unexpected closed shell for 19 electrons. Received 5 November 2001 / Received in final form 12 November 2002 Published online 1st April 2003 RID="a" ID="a"e-mail: vorrath@physnet.uni-hamburg.de     

Luminescence of a semiconductor quantum dot system

A microscopic theory is used to study photoluminescence of semiconductor quantum dots under the influence of Coulomb and carrier-photon correlation effects beyond the Hartree-Fock level. We investigate the emission spectrum and the decay properties of the time-resolved luminescence from initially excited quantum dots. The influence of the correlations is included within a cluster expansion scheme up to the singlet-doublet level.     

Comparative first-principles analysis of the absorption spectra of ZnAl2S4 and ZnGa2O4 crystals doped with Cr3+

Systematic first-principles analysis of the energy level schemes and ground state absorption spectra of trivalent chromium in ZnAl₂S₄ and ZnGa₂O₄ crystals has been performed in the present paper. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron (DV-ME) method [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. The method is based on the numerical solution of the Dirac equation; no phenomenological parameters are used in the calculations. As a result, complete energy level schemes of the Cr³⁺ ion and its absorption spectra in both crystals were calculated, assigned and compared with experimental data. By performing analysis of the molecular orbital (MO) population, it was shown that the covalency of the chemical bonds between the Cr³⁺ and S^2- ions is more significant than that one between the Cr³⁺ and O^2- ions.     

Stabilization of A-type layered antiferromagnetic phase in LaMnO3 by cooperative Jahn-Teller deformations

It is shown that the layered antiferromagnetic order in stoechiometric cannot be understood purely from electronic interactions. On the contrary, it mainly results from strong cooperative Jahn-Teller deformation. Those involve a compression of the Mn-O octahedron along the c-axis (mode Q ₃ < 0), while alternate Jahn-Teller deformations occur in the ab-plane (mode Q₂). These deformations stabilize a certain type of orbital ordering. The resulting superexchange couplings are calculated by exact diagonalization, taking into account both e_g and t_2g orbitals. The main result is that antiferromagnetic (ferromagnetic) coupling along the c-direction (ab-planes) can be understood only if the Jahn-Teller energy is much larger than the superexchange couplings, which is consistent with experiments. This mechanism contrasts with that based on weak Jahn-Teller coupling which instead predicts elongation along the c-axis (Q ₃ > 0). The crucial role of the deformation anisotropy is also emphasized. Received 24 January 2000     

Low-energy spectrum and finite temperature properties of quantum rings

Recently it was demonstrated that the rotational and vibrational spectra of quantum rings containing few electrons can be described quantitatively by an effective spin-Hamiltonian combined with rigid center-of-mass rotation and internal vibrations of localized electrons. We use this model Hamiltonian to study the quantum rings at finite temperatures and in presence of a nonzero magnetic field. Total spin, angular momentum and pair correlation show similar phase diagram which can be understood with help of the rotational spectrum of the ring. Received 18 January 2002 Published online 13 August 2002     

Signature of Kondo effect in silicon quantum dots

We report observation of the Kondo effect in the Coulomb blockade oscillations of an impurity quantum dot (IQD). This IQD is formed in the channel of a 100 nm gate length Silicon MOSFET. The quantitative analysis of the anomalous temperature and voltage dependence for the drain-source current over a series of Coulomb blockade oscillations is performed. It strongly supports the Kondo explanation for the conductance behavior at very low temperature in this standard microelectronics device. Received 13 November 2001 and Received in final form 18 February 2002     

Floating Wigner molecules and possible phase transitions in quantum dots

A floating Wigner crystal differs from the standard one by a spatial averaging over positions of the Wigner-crystal lattice. It has the same internal structure as the fixed crystal, but contrary to it, takes into account rotational and/or translational symmetry of the underlying jellium background. We study properties of a floating Wigner molecule in few-electron spin-polarized quantum dots, and show that the floating solid has the lower energy than the standard Wigner crystal with fixed lattice points. We also argue that internal rotational symmetry of individual dots can be broken in arrays of quantum dots, due to degenerate ground states and inter-dot Coulomb coupling. Received 12 September 2001 / Received in final form 24 April 2002 Published online 9 July 2002     

Coherent dynamics of magnetoexcitons in semiconductor nanorings

The coherent dynamics of magnetoexcitons in semiconductor nanorings following pulsed optical excitation is studied. The calculated temporal evolution of the excitonic dipole moment may be understood as a superposition of the relative motion of electrons and holes and a global circular motion associated with the magnetic-field splitting of these states. This dynamics of the electron-hole pairs can be generated either by local optical excitation of an ordered ring or, alternatively, by homogeneous excitation of rings with broken rotational symmetry due to disorder or band tilting. Received 27 September 2000     

Electronic properties of model quantum-dot structures in zero and finite magnetic fields

We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method. The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed. Received 16 October 2001 and Received in final form 17 January 2002     

Persistent non-ergodic fluctuations in mesoscopic insulators: The NSS model in the unitary and symplectic ensembles

We give a detailed picture of the mesoscopic conductance fluctuations in the deep insulating regime (DIR) within the Nguyen, Spivak and Shklovskii model in the unitary and symplectic ensembles. Slutski's theorem is invoked to rigorously state the ergodic problem for conductance fluctuations in the DIR, in contrast with previous studies. A weakly decaying behavior of the log-conductance correlation function, even weaker when spin-orbit scatterers are included, is established on the relevant field scale of the model. Such a slow decay implies that the stochastic process, defined by the fluctuations of the log-conductance, is non-ergodic in the mean square sense in the ensembles with the reported symmetries. The results can be interpreted in terms of the effective number of samples within the available magnetic scale. Using the replica approach, we derive the strong localisation counterparts of the well known 'cooperon' and 'diffuson' which permit analyzing quantitatively the decaying behavior of the correlation function and reveal its symmetry related properties in agreement with the numerical results. Received 11 April 2002 / Received in final form 27 August 2002 Published online 19 November 2002     

Solution of spin-boson systems in one and two-dimensional geometry via the asymptotic iteration method

We consider solutions of the 2×2 matrix Hamiltonian of physical systems within the context of the asymptotic iteration method. Our technique is based on transformation of the associated Hamiltonian in the form of the first order coupled differential equations. We construct a general matrix Hamiltonian which includes a wide class of physical models. The systematic study presented here reproduces a number of earlier results in a natural way as well as leading to new findings. Possible generalizations of the method are also suggested.     

Polaronic effects in one-dimensional quantum antidot arrays

We study the effect of polaronic corrections arising from theelectron-longitudinal optical phonon interaction on the energyspectrum of a two-dimensional electron system with a one-dimensionalperiodic antidot array geometry created by a weak electrostaticmodulation potential, and subjected to a weak magnetic fieldmodulation as well as a uniform strong perpendicular staticmagnetic field. To incorporate the effects of electron-phononinteractions within the framework of Fröhlich polaron theory, wefirst apply a displaced-oscillator type unitary transformation todiagonalise the relevant Fröhlich Hamiltonian, and we thendetermine the parameters of this transformation together with theparameter included in the electronic trial wave function . On thebasis of this technique, it has been shown that the polaroniccorrections have non-negligible effects on the electronic spectrumof a two-dimensional electron system with a quantum antidot array,since switching such an interaction results in shifting thedegeneracy restoring points of Landau levels wherein the flatbandcondition is fulfilled, thus suppressing the Weiss oscillations.     

Magnetic circular dichroism in Co 2p photoemission of Co/Cu(1 1 13): Separation of the fundamental spectra

We measured high-quality Co 2p magnetic circular dichroism (MCD) spectra in photoemission for > 5 ML Co films grown on Cu(1 1 13) using a “complete” experiment, where the sample magnetization and the light helicity vector were reversed separately. We show how the four measured spectra, M^±P^±, can be used to make new linear combinations, which correspond to the circular dichroism in the angular dependence (CDAD), magnetic linear dichroism in the angular dependence (MLDAD) and MCD spectra. The integrated signals of the MLDAD and CDAD can be used to estimate the error caused by the difference in the degrees of magnetization and light polarization, respectively, in the opposite alignments. The MCD signal integrated over the entire 2p region does not average to zero, as one would have expected from the sum rule for photoemission to a non-interacting continuum state. There is a strong MCD signal in the entire region between the 2p _3/2 and 2p _1/2 main lines with pronounced satellite structure. The differences between the measured and calculated results for an independent-particle and an atomic model indicate the presence of interatomic electron correlation effects and configurational mixing. Received 26 September 2000     

Strain-assisted spin manipulation in a quantum well

We show that the efficiency of manipulating electron spins in semiconductor quantum wells can be enhanced by tuning strain strengths. The combined effects of intrinsic and strain-induced spinorbit couplings vary for different quantum wells, which provide an alternative route to understand the experimental phenomena brought in by the strain. The contribution to the electron-dipole-spin-resonance intensity induced by the strain can be changed through adjusting the direction of the ac electric field in the x-y plane of the quantum well and tuning the strain strengths.     

Coupling and dissociation in artificial molecules

We show that the spin-and-space unrestricted Hartree-Fock method, in conjunction with the companion step of the restoration of spin and space symmetries via Projection Techniques (when such symmetries are broken), is able to describe the full range of couplings in two-dimensional double quantum dots, from the strong-coupling regime exhibiting delocalized molecular orbitals to the weak-coupling and dissociation regimes associated with a Generalized Valence Bond combination of atomic-type orbitals localized on the individual dots. The weak-coupling regime is always accompanied by an antiferromagnetic ordering of the spins of the individual dots. The cases of dihydrogen (H₂, 2e) and dilithium (Li₂, 6e) quantum dot molecules are discussed in detail. Received 19 December 2000     

Spin precession and electron spin polarization wave in [001]-grown quantum wells

We theoretically study the spatial behaviors of spin precessions modulated by an effective magnetic field in a two-dimensional electron system with spin-orbit interaction. Through analysis of interaction between the spin and the effective magnetic field, we find some laws of spin precession in the system, by which we explain some previous phenomena of spin precession, and predict a controllable electron spin polarization wave in [001]-grown quantum wells. The shape of the wave, like water wave, mostly are ellipse-like or circle-like, and the wavelength is anisotropic in the quantum wells with two unequal coupling strengths of the Rashba and Dresselhaus interactions, and is isotropic in the quantum wells with only one spin orbit interaction.     

Characteristics of transmission of electrons in a quantum wire tangentially attached to a superconductor ring threaded by magnetic flux

We present numerical investigations of the transmission properties of electrons in a normal quantum wire tangentially attached to a superconductor ring threaded by magnetic flux. A point scatterer with a δ -function potential is placed at node to model scattering effect. We find that the transmission characteristics of electrons in this structure strongly depend on the normal or superconducting state of the ring. The transmission probability as a function of the energy of incident electrons, in the case of a superconductor ring threaded by one quantum magnetic flux, emerges one deep dip, imposed upon the first broad bump in spectrum. This intrinsic conductance dip originates from the superconductor state of the ring. When increasing the magnetic flux from one quantum magnetic flux to two, the spectrum shifts toward higher energy region in the whole. This conductance dip accordingly shifts and appears in the second bump. In the presence of a point-scatterer at the node, the spectrum is substantially modified. Based on the condition of the formation of the standing wave functions in the ring and the broken of the time-reserve symmetry of Schr?dinger equation after switching magnetic flux, the characteristics of transmission of electrons in this structure can be well understood. Received 6 November 2001