Transport across two interacting quantum dots: Bulk Kondo, Kondo box, and molecular regimes

We analyze the transport properties of a double quantum dot device with both dots coupled to perfect conducting leads and to a finite chain of N noninteracting sites connecting both of them. The interdot chain strongly influences the transport across the system and the local density of states of the dots. We study the case of a small number of sites, so that Kondo box effects are present, varying the coupling between the dots and the chain. For odd N and small coupling between the interdot chain and the dots, a state with two coexisting Kondo regimes develops: the bulk Kondo due to the quantum dots connected to leads and the one produced by the screening of the quantum dot spins by the spin in the finite chain at the Fermi level. As the coupling to the interdot chain increases, there is a crossover to a molecular Kondo effect, due to the screening of the molecule (formed by the finite chain and the quantum dots) spin by the leads. For even N the two Kondo temperatures regime does not develop and the physics is dominated by the usual competition between Kondo and antiferromagnetism between the quantum dots. We finally study how the transport properties are affected as N is increased. For the study we used exact multiconfigurational Lanczos calculations and finite-U slave-boson mean-field theory at T=0. The results obtained with both methods describe qualitatively and also quantitatively the same physics.

Theory of ferromagnetism in planar heterostructures of (Mn,III)-V semiconductors

A density-functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density-functional theory are the charge and spin densities of the itinerant carriers and the charge and localized spins of the impurities. The theory is applied to study the Curie temperature of planar heterostructures of III-V semiconductors doped with manganese atoms. The mean-field, virtual-crystal and effective-mass approximations are adopted to calculate the electronic structure, including the spin-orbit interaction, and the magnetic susceptibilities, leading to the Curie temperature. By means of these results, we attempt to understand the observed dependence of the Curie temperature of planar δ-doped ferromagnetic structures on variation of their properties. We predict a large increase of the Curie temperature by additional confinement of the holes in a δ-doped layer of Mn by a quantum well.

Single-exciton spectroscopy of semimagnetic quantum dots

A photoexcited II-VI semiconductor quantum dots doped with a few Mn spins is considered. The effects of spin-exciton interactions and the resulting multispin correlations on the photoluminescence are calculated by numerical diagonalization of the Hamiltonian, including exchange interaction between electrons, holes, and Mn spins, as well as spin-orbit interaction. The results provide a unified description of recent experiments on the photoluminesnce of dots with one and many Mn atoms as well as optically induced ferromagnetism in semimagnetic quantum dots.

Impurity states in the quantum spin Hall phase in graphene

Two-dimensional insulators with time-reversal symmetry can have two topologically different phases, the quantum spin Hall and the normal phase. The former is revealed by the existence of conducting edge states that are topologically protected. Here we show that the reaction to impurity, in bulk, is radically different in the two phases and can be used as a marker for the topological phase. Within the context of the Kane-Mele model for graphene, we find that strictly normalizable in-gap impurity states only occur in the quantum spin Hall phase and carry a dissipationless current whose chirality is determined by the spin and pseudospin of the residing electron.

Quantum Hall effect in gapped graphene heterojunctions

We model the quantum Hall effect in heterostructures made of two gapped graphene stripes with different gaps, Δ1 and Δ2. We consider two main situations, Δ1=0,Δ2≠0, and Δ1=−Δ2. They are different in a fundamental aspect: only the latter features kink states that, when intervalley coupling is absent, are protected against backscattering. We compute the two-terminal conductance of heterostructures with channel length up to 430 nm, in two transport configurations, parallel and perpendicular to the interface. By studying the effect of disorder on the transport along the boundary, we quantify the robustness of kink states with respect to backscattering. Transport perpendicular to the boundary shows how interface states open a backscattering channel for the conducting edge states, spoiling the perfect conductance quantization featured by the homogeneously gapped graphene Hall bars. Our results can be relevant for the study of graphene deposited on hexagonal boron-nitride, as well as to model graphene with an interaction-driven gapped phase with two equivalent phases separated by a domain wall.

Consequences of Kondo exchange on quantum spins

When individual quantum spins are placed in close proximity to conducting substrates, the localized spin is coupled to the nearby itinerant conduction electrons via Kondo exchange. In the strong coupling limit this can result in the Kondo effect — the formation of a correlated, many body singlet state — and a resulting renormalization of the density of states near the Fermi energy. However, even when Kondo screening does not occur, Kondo exchange can give rise to a wide variety of other phenomena. In addition to the well known renormalization of the g factor and the finite spin decoherence and relaxation times, Kondo exchange has recently been found to give rise to a newly discovered effect: the renormalization of the single ion magnetic anisotropy. Here we put these apparently different phenomena on equal footing by treating the effect of Kondo exchange perturbatively. In this formalism, the central quantity is ρJ, the product of the density of states at the Fermi energy ρ and the Kondo exchange constant J. We show that perturbation theory correctly describes the experimentally observed exchange induced shifts of the single spin excitation energies, demonstrating that Kondo exchange can be used to tune the effective magnetic anisotropy of a single spin.

Quantum spin Hall phase in multilayer graphene

The so-called quantum spin Hall phase is a topologically nontrivial insulating phase that is predicted to appear in graphene and graphenelike systems. In this paper we address the question of whether this topological property persists in multilayered systems. We consider two situations: purely multilayer graphene and heterostructures where graphene is encapsulated by trivial insulators with a strong spin-orbit coupling. We use a four-orbital tight-binding model that includes full atomic spin-orbit coupling and we calculate the Z2 topological invariant of the bulk states as well as the edge states of semi-infinite crystals with armchair termination. For homogeneous multilayers we find that even when the spin-orbit interaction opens a gap for all possible stackings, only those with an odd number of layers host gapless edge states while those with an even number of layers are trivial insulators. For heterostructures where graphene is encapsulated by trivial insulators, it turns out that interlayer coupling is able to induce a topological gap whose size is controlled by the spin-orbit coupling of the encapsulating materials, indicating that the quantum spin Hall phase can be induced by proximity to trivial insulators.

Quantum fluctuations stabilize skyrmion textures

We study the quantum spin waves associated to skyrmion textures. We show that the zero-point energy associated to the quantum spin fluctuations of a noncollinear spin texture produce Casimir-like magnetic fields. We study the effect of these Casimir fields on the topologically protected noncollinear spin textures known as skyrmions. In a Heisenberg model with Dzyalonshinkii-Moriya interactions, chosen so the classical ground state displays skyrmion textures, we calculate the spin-wave spectrum, using the Holstein-Primakoff approximation, and the associated zero-point energy, to the lowest order in the spin-wave expansion. Our calculations are done both for the single-skyrmion case, for which we obtain a discrete set of skyrmion bound states, as well as for the skyrmion crystal, for which the resulting spectrum gives the spin-wave bands. In both cases, our calculations show that the Casimir magnetic field contributes up to 10% of the total Zeeman energy necessary to delete the skyrmion texture with an applied field.

Single-Polarization Double Refraction in Plasmonic Crystals: Considerations on Energy Flow

We examined the optical properties of nanolayered metal-dielectric lattices. At subwavelength regimes, the periodic array of metallic nanofilms demonstrates nonlocality-induced double refraction, conventional positive and as well as negative. In particular, we report on energy-flow considerations concerning both refractive behaviors concurrently. Numerical simulations provide transmittance of individual beams in Ag-TiO2 metamaterials under different configurations. In regimes of the effective-medium theory predicting elliptic dispersion, negative refraction may be stronger than the expected positive refraction.

Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections

In this work, we present a thorough assessment of the performance of some representative double-hybrid density functionals (revPBE0-DH-NL and B2PLYP-NL) as well as their parent hybrid and GGA counterparts, in combination with the most modern version of the nonlocal (NL) van der Waals correction to describe very large weakly interacting molecular systems dominated by noncovalent interactions. Prior to the assessment, an accurate and homogeneous set of reference interaction energies was computed for the supramolecular complexes constituting the L7 and S12L data sets by using the novel, precise, and efficient DLPNO-CCSD(T) method at the complete basis set limit (CBS). The correction of the basis set superposition error and the inclusion of the deformation energies (for the S12L set) have been crucial for obtaining precise DLPNO-CCSD(T)/CBS interaction energies. Among the density functionals evaluated, the double-hybrid revPBE0-DH-NL and B2PLYP-NL with the three-body dispersion correction provide remarkably accurate association energies very close to the chemical accuracy. Overall, the NL van der Waals approach combined with proper density functionals can be seen as an accurate and affordable computational tool for the modeling of large weakly bonded supramolecular systems.