Wigner localization in quantum dots from Kohn-Sham density functional theory without symmetry breaking

We address low-density two-dimensional circular quantum dots with spin-restricted Kohn-Sham density functional theory. By using an exchange-correlation functional that encodes the effects of the strongly-correlated regime (and that becomes exact in the limit of infinite correlation), we are able to reproduce characteristic phenomena such as the formation of ring structures in the electronic total density, preserving the fundamental circular symmetry of the system. The observation of this and other well-known effects in Wigner-localized quantum dots such as the flattening of the addition energy spectra, has until now only been within the scope of other, numerically more demanding theoretical approachesComment: 8 pages, 6 figure

Exchange-correlation functionals from the strongly-interacting limit of DFT: Applications to model chemical systems

We study model one-dimensional chemical systems (representative of their three-dimensional counterparts) using the strictly-correlated electrons (SCE) functional, which, by construction, becomes asymptotically exact in the limit of infinite coupling strength. The SCE functional has a highly non-local dependence on the density and is able to capture strong correlation within Kohn- Sham theory without introducing any symmetry breaking. Chemical systems, however, are not close enough to the strong-interaction limit so that, while ionization energies and the stretched H2 molecule are accurately described, total energies are in general way too low. A correction based on the exact next leading order in the expansion at infinite coupling strength of the Hohenberg-Kohn functional largely improves the results.Comment: 9 pages, 6 figures. Submitted to PCCP's Themed Collection on Density Functional Theory and its Application

Spin-orbit effects on the Larmor dispersion relation in GaAs quantum wells

We have studied the relevance of spin-orbit coupling to the dispersion 00009 relation of the Larmor resonance observed in inelastic light scattering and electron-spin resonance experiments on GaAs quantum wells. We show that the spin-orbit interaction, here described by a sum of Dresselhaus and Bychkov-Rashba terms, couples Zeeman and spin-density excitations. We have evaluated its contribution to the spin splitting as a function of the magnetic field $B$, and have found that in the small $B$ limit, the spin-orbit interaction does not contribute to the spin splitting, whereas at high magnetic fields it yields a $B$ independent contribution to the spin splitting given by $2(\lambda_R^2-\lambda_D^2)$, with $\lambda_{R,D}$ being the intensity of the Bychkov-Rashba and Dresselhaus spin-orbit terms.Comment: To be published in Physical Review

Isospin phases of vertically coupled double quantum rings under the influence

Vertically coupled double quantum rings submitted to a perpendicular magnetic field B are addressed within the local spin-density-functional theory. We describe the structure of quantum ring molecules containing up to 40 electrons considering different inter-ring distances and intensities of the applied magnetic field. When the rings are quantum mechanically strongly coupled, only bonding states are occupied and the addition spectrum of the artificial molecules resembles that of a single-quantum ring, with some small differences appearing as an effect of the magnetic field. Despite the latter’s tendency to flatten the spectra, in the strong-coupling limit, some clear peaks are still found even when B 0 that can be interpretated from the single-particle energy levels similarly as in the zero magnetic field case, namely, in terms of closed-shell and Hund’s-rule configurations. By increasing the inter-ring distance, the occupation of the first antibonding orbitals washes out such structures and the addition spectra become flatter and irregular. In the weak-coupling regime, numerous isospin oscillations are found as functions of

Spin-orbit effects in GaAs quantum wells: Interplay between Rashba, Dresselhaus, and Zeeman interactions

The interplay between Rashba, Dresselhaus and Zeeman interactions in a quantum well submitted to an external magnetic field is studied by means of an accurate analytical solution of the Hamiltonian, including electron-electron interactions in a sum rule approach. This solution allows to discuss the influence of the spin-orbit coupling on some relevant quantities that have been measured in inelastic light scattering and electron-spin resonance experiments on quantum wells. In particular, we have evaluated the spin-orbit contribution to the spin splitting of the Landau levels and to the splitting of charge- and spin-density excitations. We also discuss how the spin-orbit effects change if the applied magnetic field is tilted with respect to the direction perpendicular to the quantum well.Comment: 26 pages (with 3 figures included

Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes

We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without breaking the spin or any other symmetry. In particular, it shows “bumps” (or barriers) that give rise to charge localization at low densities and that are a well-known key feature of the exact Kohn-Sham potential for strongly correlated systems. Here, we illustrate this approach for the study of both weakly and strongly correlated model quantum wires, comparing our results with those obtained with the configuration interaction method and with the usual Kohn-Sham local density approximation

Topics in quantum nanostructure physics: spin-orbit effects and far-infrared response

[eng] We have investigated several properties of semiconductor electronic nanostructures. In the first part of the thesis, within the density functional theory we have addressed the ground state and the dipolar response of quantum rings. In particular, we have considered single-quantum-ring systems and also vertically and concentrically coupled quantum rings. As parameters, we have taken both the inter-ring distance and the intensity of externally applied electric and/or magnetic fields. The calculation of the addition energies and the dipolar response has allowed us to study the evolution of these properties as a function of the mentioned parameters, and to describe as well some of the properties of double-ring systems in terms of those of the single rings, especially in the limits of small (strong coupling regime) and large (weak coupling regime) ring separations. Also, we have studied the effects of the Rashba and Dresselhaus spin-orbit interactions in quantum wells and wires submitted to magnetic fields. For the formers, we have not taken into account the electron-electron interaction in most of the calculations and we have employed an analytic formalism that has allowed us to obtain exact results for the electronic eigenstates and eigenenergies in some particular cases, as well as non-exact expressions obtained after doing some approximations that have turned out to be very accurate when compared with the numerically obtained results. For the quantum wires, we have employed a generalization of the local spindensity approximation that allows to treat systems with non-collinear spins (e.g. due to the spinorbit interaction) similarly as those systems in which one can define a common spin quantization axis. This way we have been able to compute the single-particle orbitals and also the conductance of the wire as a funcion of both the magnetic field and the spin-orbit coupling strengths, investigating the effects of the exchange-correlation interaction. KEY WORDS: Nanostructures, Quantum Rings, Quantum Wires, Spin-Orbit, Far-Infrared Response[cat] Hem investigat diverses propietats de les nanoestructures electròniques de semiconductor. En primer lloc, utilitzant el formalisme de la teoria del funcional de la densitat hem estudiat l'estat fonamental i la resposta a l'infraroig llunyà d'anells quàntics. En particular, hem considerat els sistemes formats per un sol anell, i també per anells dobles acoblats verticalment i concèntricament. Com a paràmetres hem pres les distàncies de separació entre els anells, i també la intensitat d'un cert camp elèctric i/o magnètic aplicat sobre els sistemes. El càlcul de les energies d'addició i de la resposta dipolar ens ha permès observar la seva evolució en funció d'aquests paràmetres, i també descriure algunes de les propietats dels anells dobles en termes de les dels anells simples, especialment en els límits de separacions molt petites (límit d'acoblament quàntic fort) i molt grans (límit d'acoblament quàntic dèbil). Per altra banda, hem estudiat els efectes de les interaccions d'spin-òrbita de Rashba i de Dresselhaus en pous i fils quàntics sotmesos a camps magnètics. En el cas dels primers, s'ha omès en gairebé tots els càlculs la interacció electró-electró i s'ha emprat un formalisme anal.lític que ens ha permès obtenir resultats exactes pels autoestats i les autoenergies dels electrons en alguns casos particulars, i d'altres expressions no exactes obtingudes després de realitzar certes aproximacions, però que han resultat ser molt acurades en comparar-les amb els resultats numèrics. En el cas dels fils quàntics hem utilitzat una generalització de l'aproximació local d'spin que ens ha permès estudiar un sistema on els spins no són colineals degut a la presència de la interacció d'spin-òrbita de manera similar als sistemes en que sí ho són. Així hem calculat les energies monoparticulars i la conductància del fil en funció del camp magnètic i de la intensitat dels acoblaments de Rashba i de Dresselhaus, investigant els efectes de la interacció d'intercanvi-correlació

Persistent currents in dipolar Bose-Einstein condensates confined in annular potentials

We consider a dipolar Bose-Einstein condensate confined in an annular potential, with all the dipoles being aligned along some arbitrary direction. In addition to the dipole-dipole interaction, we also assume a zero-range hard-core potential. We investigate the stability of the system against collapse, as well as the stability of persistent currents as a function of the orientation of the dipoles and of the strength of the hard-core interaction

Exchange-correlation effects on quantum wires with spin-orbit interactions under the influence of in-plane magnetic fields.

Within the noncollinear local spin-density approximation, we have studied the ground state structure of a parabolically confined quantum wire submitted to an in-plane magnetic field, including both Rashba and Dresselhaus spin-orbit interactions. We have explored a wide range of linear electronic densities in the weak (strong) coupling regimes that appear when the ratio of spin-orbit to confining energy is small (large). These results are used to obtain the conductance of the wire. In the strong coupling limit, the interplay between the applied magnetic field¿irrespective of the in-plane direction, the exchange-correlation energy, and the spin-orbit energy-produces anomalous plateaus in the conductance vs linear density plots that are otherwise absent, or washes out plateaus that appear when the exchange-correlation energy is not taken into account