Kondo physics of magnetic adatoms on metallic surfaces when the onset of the surface conduction density of states crosses the Fermi level

We study the role of the onset of Shockley states Ds belonging to (111) surfaces of Cu, Ag, and Au in the Kondo effect when a magnetic impurity is deposited on them. When Ds approaches the Fermi level EF, which can be done by compressing (stretching) the metallic sample, we find that most of the thermodynamic and dynamic properties of the impurity are affected in a nontrivial way. We model the system by a generic Anderson impurity model and solve it by using the numerical renormalization group technique. In particular, the impurity contribution to magnetic susceptibility and entropy as a function of temperature exhibit negative values and go to zero slowly in a logarithmic shape. Furthermore, we found suppression of the spectral density weight at the Fermi level when Ds∼EF even in the Kondo regime. As a consequence, the conductance through the impurity is strongly reduced by nearly 25% of the unitary value 2e2/h. Finally, we analyze these features in realistic systems like Co on Ag(111) reported in the literature.Fil: Fernández, Joaquín. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Roura Bas, Pablo Gines. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentin

Relation between width of zero-bias anomaly and Kondo temperature in transport measurements through correlated quantum dots: Effect of asymmetric coupling to the leads

The zero-bias anomaly at low temperatures, originated by the Kondo effect when an electric current flows through a system formed by a spin-1/2 quantum dot and two metallic contacts is theoretically investigated. In particular, we compare the width of this anomaly 2TNE with that of the Kondo resonance in the spectral density of states 2TKρ, obtained from a Fano fit of the corresponding curves and also with the Kondo temperature TKG defined from the temperature evolution of the equilibrium conductance G(T). In contrast to TKG and 2TKρ, we found that the scale 2TNE strongly depends on the asymmetry between the couplings of the quantum dot to the leads while the total hybridization is kept constant. While the three scales are of the same order of magnitude, 2TNE and TKρ agree only in the case of large asymmetry between the different tunneling couplings of the contacts and the quantum dot. On the other hand, for similar couplings, TNE becomes larger than TKρ, reaching the maximum deviation, of the order of 30%, for identical couplings. The fact that an additional parameter to TNE is needed to characterize the Kondo effect, weakening the universality properties, points that some caution should be taken in the usual identification in experiments of the low temperature width of the zero-bias anomaly with the Kondo scale. Furthermore, our results indicate that the ratios TNE/TKG and TKρ/TKG depend on the range used for the fitting.Fil: Perez Daroca, Diego Raul. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Roura Bas, Pablo Gines. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Aligia, Armando Ángel. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentin

Transition between SU(4) and SU(2) Kondo effect

Motivated by experiments in nanoscopic systems, we study a generalized Anderson, which consist of two spin degenerate doublets hybridized to a singlet by the promotion of an electron to two conduction bands, as a function of the energy separation d between both doublets. For d¼0 or very large, the model is equivalent to a one-level SU(N) Anderson model, with N¼4 and 2 respectively. We study the evolution of the spectral density for both doublets (r 1s ðoÞ and r 2s ðoÞ) and their width in the Kondo limit as d is varied, using the non-crossing approximation (NCA). As d increases, the peak at the Fermi energy in the spectral density (Kondo peak) splits and the density of the doublet of higher energy r 2s ðoÞ shifts above the Ferrmi energy. The Kondo temperature T K (determined by the half-width at half maximum of the Kondo peak in density of the doublet of lower energy r 1s ðoÞ) decreases dramatically. The variation of T K with d is reproduced by a simple variational calculation.Fil: Tosi, Leandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; ArgentinaFil: Roura Bas, Pablo Gines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Aligia, Armando Angel. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentin

Non-Fermi-liquid behavior in nonequilibrium transport through Co-doped Au chains connected to fourfold symmetric leads

We calculate the differential conductance as a function of temperature and bias voltage, G(T ,V ), through Au monatomic chains with a substitutional Co atom as a magnetic impurity, connected to a fourfold symmetric lead. The system was recently proposed as a possible scenario for observation of the overscreened Kondo physics. Stretching the chain, the system could be tuned through a quantum critical point (QCP) with three different regimes: overscreened, underscreened, and non-Kondo phases. We present calculations of the impurity spectral function by using the numerical renormalization group for the three different regimes characterizing the QCP. Nontrivial behavior of the spectral function is reported near the QCP. Comparison with results using the noncrossing approximation (NCA) shows that the latter is reliable in the overscreened regime, when the anisotropy is larger than the Kondo temperature. For these parameters, which correspond to realistic previous estimates, G(T,V) calculated within NCA exhibits clear signatures of the non-Fermi-liquid behavior within the overscreened regime.Fil: Di Napoli, Solange Mariel. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Roura Bas, Pablo Gines. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; ArgentinaFil: Weichselbaum, Andreas. Technische Universitat Munchen; Alemania. Ludwig-Maximilians-Universität Munchen; AlemaniaFil: Aligia, Armando Ángel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentin

Enhanced thermoelectric response in the fractional quantum Hall effect

We study the linear thermoelectric response of a quantum dot embedded in a constriction of a quantum Hall bar with fractional filling factors ν=1/m within Laughlin series. We calculate the figure of merit ZT for the maximum efficiency at a fixed temperature difference. We find a significant enhancement of this quantity in the fractional filling in relation to the integer-filling case, which is a direct consequence of the fractionalization of the electron in the fractional quantum Hall state. We present simple theoretical expressions for the Onsager coefficients at low temperatures, which explicitly show that ZT and the Seebeck coefficient increase with m.Fil: Roura Bas, Pablo Gines. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaFil: Arrachea, Liliana del Carmen. Freie Universität Berlin; Alemania. Universidad Nacional de San Martín; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Fradkin, Eduardo. University of Illinois at Urbana; Estados Unido

Helical spin thermoelectrics controlled by a side-coupled magnetic quantum dot in the quantum spin Hall state

We study the thermoelectric response of a device containing a pair of helical edge states contacted at thesame temperature T and chemical potential μ and connected to an external reservoir, with different chemicalpotential and temperature, through a side quantum dot. Different operational modes can be induced by applyinga magnetic field B and a gate voltage Vg at the quantum dot. At finite B, the quantum dot acts simultaneously asa charge and a spin filter. Charge and spin currents are induced, not only through the quantum dot, but also alongthe edge states. We focus on linear response and analyze the regimes, which we identify as charge heat enginesor refrigerator, spin heat engine, and spin refrigerator.Fil: Roura Bas, Pablo Gines. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Arrachea, Liliana del Carmen. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Kavli Institute for Theoretical Physics; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Fradkin, Eduardo. University of Illinois at Urbana; Estados Unido

Width of the charge-transfer peak in the SU(N) impurity Anderson model and its relevance to nonequilibrium transport

We calculate the width 2ΔCT and intensity of the charge-transfer peak (the one lying at the on-site energy Ed) in the impurity spectral density of states as a function of Ed in the SU(N) impurity Anderson model (IAM). We use the dynamical density-matrix renormalization group (DDMRG) and the noncrossing approximation (NCA) for N=4 and a 1/N variational approximation in the general case. In particular, while for Ed Δ, where Δ is the resonant level half-width, ΔCT=Δ as expected in the noninteracting case, for Ed NΔ one has ΔCT=NΔ. In the N=2 case, some effects of the variation of ΔCT with Ed were observed in the conductance through a quantum dot connected asymmetrically to conducting leads at finite bias [J. Könemann, Phys. Rev. B 73, 033313 (2006)PRBMDO1098-012110.1103/PhysRevB.73.033313]. More dramatic effects are expected in similar experiments that can be carried out in systems of two quantum dots, carbon nanotubes or other, realizing the SU(4) IAM.Fil: Fernández, Joaquín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaFil: Lisandrini, Franco Thomas. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Roura Bas, Pablo Gines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Gazza, Claudio Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Aligia, Armando Ángel. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentin

Out of equilibrium Anderson model: Conductance and Kondo temperature

We calculate the conductance through a quantum dot weakly coupled to metallic contacts by means of the Keldysh out of equilibrium formalism. We model the quantum dot with the SU(2) Anderson model and consider the limit of infinite Coulomb repulsion. The interacting system is solved with the numerical diagrammatic Non-Crossing Approximation (NCA) and the conductance is obtained as a function of temperature and gate voltage from differential conductance (dI/dV) curves. We discuss the results in comparison with those from the linear response approach which can be performed directly in equilibrium conditions. Comparison shows that out of equilibrium results are in good agreement with the ones from linear response supporting reliability of the method employed. The last discussion becomes relevant when dealing with general transport models through interacting regions. We also analyze the evolution of conductance vs gate voltage with temperature. While at high temperatures the conductance is peaked, when the Fermi energy coincides with the localized level it presents a plateau at low temperatures as a consequence of the Kondo effect. We discuss different ways to determine Kondo’s temperature.Fil: Tosi, Leandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; ArgentinaFil: Roura Bas, Pablo Gines. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; ArgentinaFil: Llois, Ana Maria. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Aligia, Armando Angel. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentin

Topological quantum phase transition between Fermi liquid phases in an Anderson impurity model

We study a generalized Anderson model that mixes two localized configurations-one formed by two degenerate doublets and the other by a triplet with single-ion anisotropy DSz2-by means of two degenerate conduction channels. The model has been derived for a single Ni impurity embedded into an O-doped Au chain. Using the numerical renormalization group, we find a topological quantum phase transition, at a finite value Dc, between two regular Fermi liquid phases of high (low) conductance and topological number 2IL/π=0 (+1) for DDc), where IL is the well-known Luttinger integral. At finite temperature the two phases are separated by a non-Fermi liquid phase with fractional impurity entropy 12ln2 and other properties which are similar to those of the two-channel Kondo model.Fil: Blesio, Germán Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Manuel, Luis Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Roura Bas, Pablo Gines. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Aligia, Armando Ángel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentin

Kondo behavior of anisotropic single atomic spins on a Cu2 N molecular layer

Fitting ab initio total energies, obtained within the generalized gradient approximation with spin-orbit coupling and a correction that includes Coulomb repulsion, we calculate the anisotropy parameters D and E of an effective spin model that describes 3d magnetic impurities separated from the Cu(100) surface by a monolayer of Cu2 N. Assuming a general exchange interaction between conduction and 3d electrons we construct an effective Kondo model which depends on D and E. We discuss the specific cases for Mn, Fe, and Co impurities.Fil: Barral, María Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; ArgentinaFil: Roura Bas, Pablo Gines. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; ArgentinaFil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; ArgentinaFil: Aligia, Armando Angel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentin