Search

We present a minimal model that provides a description of the magnetic and thermodynamic properties of \Eu. The model contains two exchange coupling parameters, which are calculated using Density Functional Theory, and a local easy axis magnetic anisotropy term. The classical ground state of the system is a generalization of the well known 120$^\circ$ structure observed in triangular antiferromagnets. Monte Carlo simulations show two phase transitions as a function of the temperature. With increasing temperature, the system transitions from the ground state into a high-entropy collinear antiferromagnet, which in turn at higher temperatures presents a second order transition to a paramagnetic state. A high enough external magnetic field parallel to the anisotropy axis produces a spin-flop transition at low temperatures. The field also reduces the temperature range of stability of the collinear antiferromagnet phase and leads to a single phase transition as a function of the temperature. The reported behavior of the specific heat, the magnetization, and the magnetic susceptibility is in agreement with the available experimental data. Finally, we present the magnetic phase diagrams for magnetic fields parallel and perpendicular to the easy axis., Comment: 12 pages, 18 figures, to appear in Physical Review B

We analyze the quantum entanglement between opposite spin projection electrons in the ground state of the Anderson impurity model. In this model, a single level impurity with intralevel repulsion U is tunnel coupled to a free electron gas. The Anderson model presents a strongly correlated many body ground state with mass enhanced quasiparticle excitations. We find, using both analytical and numerical tools, that the quantum entanglement between opposite spin projection electrons is a monotonic universal function of the quasiparticle mass enhancement Z. The mass enhancement, which is used to quantify the correlations in quantum many body systems, could therefore be used to quantify spin entanglement., Comment: 5 pages, 4 figures, supplemental material

We compute the magnetocaloric effect (MCE) in the GdTX (T=Sc, Ti, Co, Fe; X=Si, Ge) compounds as a function of the temperature and the external magnetic field. To this end we use a density functional theory approach to calculate the exchange-coupling interactions between Gd$^{3+}$ ions on each compound. We consider a simplified magnetic Hamiltonian and analyze the dependence of the exchange couplings on the transition metal T, the p-block element X, and the crystal structure (CeFeSi-type or CeScSi-type). The most significant effects are observed for the replacements Ti $\to$ Sc or Fe $\to$ Co which have an associated change in the parity of the electron number in the 3d level. These replacements lead to an antiferromagnetic contribution to the magnetic couplings that reduces the Curie temperature and can even lead to an antiferromagnetic ground state. We solve the magnetic models through mean field and Monte Carlo calculations and find large variations among compounds in the magnetic transition temperature and in the magnetocaloric effect, in agreement with the available experimental data. The magnetocaloric effect shows a universal behavior as a function of temperature and magnetic field in the ferromagnetic compounds after a scaling of the relevant energy scales by the Curie temperature $T_C$., 18 pages, 5 figures

A very strong magnetoelastic effect in the ${\mathrm{CeCo}}_{1\ensuremath{-}x}{\mathrm{Fe}}_{x}\mathrm{Si}$ alloys is reported. The strength of the magnetostrictive effect can be tuned upon changing $x$. The moderate low-temperature linear magnetostriction observed at low Fe concentrations becomes very large $(\frac{\mathrm{\ensuremath{\Delta}}L}{L}\left(16T,2K\right)=\phantom{\rule{4pt}{0ex}}3\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}3})$ around the critical concentration ${x}_{c}\ensuremath{\approx}0.23$ at which the long-range antiferromagnetic order vanishes. Upon increasing doping through the nonmagnetic region $(xg{x}_{c})$, the magnetostriction strength gradually weakens again. The interplay between magnetic order and the Kondo screening appears to cause an enhanced valence susceptibility slightly changing the Ce ions valence, ultimately triggering the large magnetostriction observed around the critical concentration. Previous studies of the evolution of the lattice parameters with $x$ as well as magnetization and x-ray absorption spectroscopy measurements support this hypothesis.

We report detailed thermal expansion and magnetostriction experiments on GdCoIn$_5$ and GdRhIn$_5$ single crystal samples that show a sudden change in the dilation at a field B$^\ast$ for temperatures below the N\'eel transition temperature TN. We present a first-principles model including crystal-field effects, dipolar and exchange interactions, and the dependence of the exchange couplings with lattice distortions in order to fully account for the magnetostriction and magnetic susceptibility data. The mean-field solution of the model shows that a transition between metastable states occurs at the field B$^\ast$. It also indicates that two degenerate phases coexist in the sample at temperatures below TN. This allows to explain the lack of observation, in high resolution x-ray experiments, of an orthorhombic distortion at the N\'eeel transition even though the magnetic structure breaks the tetragonal symmetry and the magnetoelastic coupling is significant. These conclusions could be extended to other tetragonal Gd-based compounds that present the same phenomenology., Comment: 10 pages, 7 figures

We present a theoretical analysis of the magnetic phase diagram of CeTi 1 - x Sc x Ge and GdFe 1 - x Co x Si as a function of the temperature and the Sc and Co concentration x, respectively. CeScGe and GdCoSi, as many other RTX (R = rare earth, T = transition metal, X = p-block element) compounds, present a tetragonal crystal structure where bilayers of R are separated by layers of T and X. While GdFeSi and CeTi 0.75 Sc 0.25 Ge are ferromagnetic, CeScGe and GdCoSi order antiferromagnetically with the R 4 f magnetic moments on the same bilayer aligned ferromagnetically and magnetic moments in nearest neighbouring bilayers aligned antiferromagnetically. The antiferromagnetic transition temperature T N decreases with decreasing concentration x in both compounds and for low enough values of x the compounds show a ferromagnetic behavior. Based on these observations we construct a simplified model Hamiltonian that we solve numerically for the specific heat and the magnetization. We find a good qualitative agreement between the model and the experimental data. Our results show that the main magnetic effect of the Sc → Ti and Co → Fe substitution in these compounds is consistent with a change in the sign of the exchange coupling between magnetic moments in neighbouring bilayers. We expect a similar phenomenology for other magnetic RTX compounds with the same type of crystal structure.

We present an implementation of the rotationally invariant slave boson technique as an impurity solver for density functional theory plus dynamical mean field theory (DFT+DMFT). Our approach provides explicit relations between quantities in the local correlated subspace treated with DMFT and the Bloch basis used to solve the DFT equations. In particular, we present an expression for the mass enhancement of the quasiparticle states in reciprocal space. We apply the method to the study of the electronic correlations in Sr2RuO4 under anisotropic strain. We find that the spin-orbit coupling plays a crucial role in the mass enhancement differentiation between the quasi-one-dimensional α and β bands, and on its momentum dependence over the Fermi surface. The mass enhancement, however, is only weakly affected by either uniaxial or biaxial strain, even across the Lifshitz transition induced by the strain. Fil: Facio, Jorge Ismael. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Leibniz-institut Für Festkörper- Und Werkstoffforschung Dresden; Alemania Fil: Mravlje, Jernej. Jozef Stefan Institute; Eslovenia Fil: Pourovskii, Leonid. Collège de France; Francia. Université Paris-Saclay; Francia Fil: Cornaglia de la Cruz, Pablo Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina Fil: Vildosola, Veronica Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina

We present a phenomenological analysis of the magnetoelastic properties of CeCo$_{0.85}$Fe$_{0.15}$Si at temperatures close to the N\'eel transition temperature $T_N$. Using a Landau functional we provide a qualitative description of the thermal expansion, magnetostriction, magnetization and specific heat data. We show that the available experimental results [Journal of Physics: Condensed Matter 28 346003 (2016)] are consistent with the presence of a structural transition at $T_s\gtrsim T_N$ and a strong magnetoelastic coupling. The magnetoelastic coupling presents a Janus-faced effect: while the structural transition is shifted to higher temperatures as the magnetic field is increased, the resulting striction at low temperatures decreases. The strong magnetoelastic coupling and the proximity of the structural transition to the onset temperature for magnetic fluctuations, suggest that the transition could be an analogue of the tetragonal to orthorhombic observed in Fe-based pcnictides., Comment: 10 pages, 3 figures

We analyze the electronic properties of interacting crystal field split three band systems. Using a rotationally invariant slave boson approach we analyze the behavior of the electronic mass renormalization as a function of the intralevel repulsion $U$, the Hund's coupling $J$, the crystal field splitting, and the number of electrons per site $n$. We first focus on the case in which two of the bands are identical and the levels of the third one are shifted by $\Delta>0$ with respect to the former. We find an increasing quasiparticle mass differentiation between the bands, for system away from half-filling ($n=3$), as the Hubbard interaction $U$ is increased. This leads to orbital selective Mott transitions where either the higher energy band (for $4>n>3$) or the lower energy degenerate bands ($2, Comment: 12 pages, 8 figures

We analyze, from a quantum information theory perspective, the possibility of realizing a SU(4) entangled Kondo regime in semiconductor double quantum dot devices. We focus our analysis on the ground state properties and consider the general experimental situation where the coupling parameters of the two quantum dots differ. We model each quantum dot with an Anderson type Hamiltonian including an interdot Coulomb repulsion and tunnel couplings for each quantum dot to independent fermionic baths. We find that the spin and pseudospin entanglements can be made equal, and the SU(4) symmetry recovered, if the gate voltages are chosen in such a way that the average charge occupancies of the two quantum dots are equal, and the double occupancy on the double quantum dot is suppressed. We present density matrix renormalization group numerical results for the spin and pseudospin entanglement entropies, and analytical results for a simplified model that captures the main physics of the problem., Comment: 9 pages, 7 figures, Phys. Rev. B

We analyze the nature of Mott metal-insulator transition in multiorbital systems using dynamical mean-field theory (DMFT). The auxiliary multiorbital quantum impurity problem is solved using continuous time quantum Monte Carlo (CTQMC) and the rotationally invariant slave-boson (RISB) mean field approximation. We focus our analysis on the Kanamori Hamiltonian and find that there are two markedly different regimes determined by the nature of the lowest energy excitations of the atomic Hamiltonian. The RISB results at $T\to0$ suggest the following rule of thumb for the order of the transition at zero temperature: a second order transition is to be expected if the lowest lying excitations of the atomic Hamiltonian are charge excitations, while the transition tends to be first order if the lowest lying excitations are in the same charge sector as the atomic ground state. At finite temperatures the transition is first order and its strength, as measured e.g. by the jump in the quasiparticle weight at the transition, is stronger in the parameter regime where the RISB method predicts a first order transition at zero temperature. Interestingly, these results seem to apply to a wide variety of models and parameter regimes., Comment: Accepted for publication in Physical Review B

We calculate the photoluminescence spectrum of a single semiconductor quantum dot strongly coupled to a continuum as a function of light frequency, gate voltage, and magnetic field. The spectrum is dominated by the recombination of several excitonic states which can be considered as quantum quenches in which the many-body nature of the system is suddenly changed between initial and final states. This is associated with an Anderson orthogonality catastrophe with a power-law singularity at the threshold. We explain the main features observed experimentally in the region of stability of the trion X-, the neutral exciton X0, and the gate-voltage-induced transition between them. Fil: Andrade Hoyos, Jhon Alejandro. 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; Argentina Fil: Aligia, Armando Ángel. 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; Argentina Fil: Cornaglia de la Cruz, Pablo Sebastian. 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; Argentina

We analyze the linear thermoelectric transport properties of devices with three quantum dots in a star configuration. A central quantum dot is tunnel-coupled to source and drain electrodes and to two additional quantum dots. For a wide range of parameters, in the absence of an external magnetic field, the system is a singular Fermi liquid with a nonanalytic behavior of the electric transport properties at low energies. The singular behavior is associated with the development of a ferromagnetic or an underscreened Kondo effect, depending on the parameter regime. A magnetic field drives the system into a regular Fermi liquid regime and leads to a large peak (∼kB/|e|) in the spin thermopower as a function of the temperature, and to a ∼100% spin polarized current for a wide range of parameters due to interference effects. We find a qualitatively equivalent behavior for systems with a larger number of side-coupled quantum dots, with the maximum value of the spin thermopower decreasing as the number of side-coupled quantum dots increases. Fil: Andrade Hoyos, Jhon Alejandro. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Cornaglia de la Cruz, Pablo Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina

We analyze theoretically a common experimental process used to obtain the magnetic contribution to the specific heat of a given magnetic material. In the procedure, the specific heat of a non-magnetic analog is measured and used to subtract the non-magnetic contributions, which are generally dominated by the lattice degrees of freedom in a wide range of temperatures. We calculate the lattice contribution to the specific heat for the magnetic compounds GdMIn5 (M=Co, Rh) and for the non-magnetic YMIn5 and LaMIn5 (M=Co, Rh), using density functional theory based methods. We find that the best non-magnetic analog for the subtraction depends on the magnetic material and on the range of temperatures. While the phonon specific heat contribution of YRhIn5 is an excellent approximation to the one of GdCoIn5 in the full temperature range, for GdRhIn5 we find a better agreement with LaCoIn5, in both cases, as a result of an optimum compensation effect between masses and volumes. We present measurements of the specific heat of the compounds GdMIn5 (M=Co, Rh) up to room temperature where it surpasses the value expected from the Dulong–Petit law. We obtain a good agreement between theory and experiment when we include anharmonic effects in the calculations. Fil: Facio, Jorge Ismael. 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; Argentina Fil: Betancourth Giraldo, Diana Maria. 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; Argentina Fil: Cejas Bolecek, Néstor René. 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; Argentina Fil: Jorge, Guillermo Antonio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Universidad Nacional de General Sarmiento. Instituto de Ciencias; Argentina Fil: Pedrazzini, Pablo. 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; Argentina Fil: Correa, Víctor Félix. 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; Argentina Fil: Cornaglia de la Cruz, Pablo Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina Fil: Vildosola, Veronica Laura. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Garcia, Daniel Julio. 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; Argentina

Using different techniques, and Fermi-liquid relationships, we calculate the variation with the applied magnetic field (up to second order) of the zero-temperature equilibrium conductance through a quantum dot described by the impurity Anderson model. We focus on the strong-coupling limit U, where U is the Coulomb repulsion and is half the resonant-level width, and consider several values of the dot level energy E d , ranging from the Kondo regime to the intermediate-valence regime F − E d ∼ , where F is the Fermi energy. We have mainly used the density-matrix renormalization group (DMRG) and the numerical renormalization group (NRG) combined with renormalized perturbation theory (RPT). Results for the dot occupancy and magnetic susceptibility from the DMRG and NRG + RPT are compared with the corresponding Bethe ansatz results for U → ∞, showing an excellent agreement once E d is renormalized by a constant Haldane shift. For U < 3 a simple perturbative approach in U agrees very well with the other methods. The conductance decreases with the applied magnetic field for dot occupancies n d ∼ 1 and increases for n d ∼ 0.5 or n d ∼ 1.5 regardless of the value of U . We also relate the energy scale for the magnetic-field dependence of the conductance with the width of thelow-energy peak in the spectral density of the dot. Fil: Hamad, Ignacio 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; Argentina Fil: 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; Argentina Fil: Andrade Hoyos, Jhon Alejandro. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Aligia, Armando Ángel. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Cornaglia de la Cruz, Pablo Sebastian. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Roura Bas, Pablo Gines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina

We present results for a model that describes a quantum point contact. We show how electron-electron correlations, within the unrestricted Hartree-Fock approximation, generate a magnetic moment in the point contact. Having characterized the magnetic structure of the contact, we map the problem onto a simple one-channel model and calculate the temperature dependence of the conductance for different gate voltages. Our results are in good agreement with experimental results obtained in GaAs devices and support the idea of Kondo effect in these systems., Comment: 7 pages, 4 figures

We model a vortex system in a sample with bulk pinning and superficial pinning generated by a magnetic decoration. We perform a sequence of finite temperature numerical experiments in which external forces are applied to obtain a dynamically ordered vortex lattice. We analyze the final structures and the behavior of the total energy of the system., 4 pages, 2 figures. Accepted in Jorunal of Low Temperature Physics

Fil: Facio, Jorge Ismael. Comision Nacional de Energia Atomica. Gerencia del Area de Energia Nuclear. Instituto Balseiro; Argentina. Comision Nacional de Energia Atomica. Centro Atomico Bariloche; Argentina. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnologico Conicet - Patagonia Norte; Argentina

We analyze the low energy properties of a device with $N+1$ quantum dots in a star configuration. A central quantum dot is tunnel coupled to source and drain electrodes and to $N$ quantum dots. Extending previous results for the $N=2$ case we show that, in the appropriate parameter regime, the low energy Hamiltonian of the system is a ferromagnetic Kondo model for a $S=(N-1)/2$ impurity spin. For small enough interdot tunnel coupling, however, a two-stage Kondo effect takes place as the temperature is decreased. The spin $1/2$ in the central quantum dot is Kondo screened first and at lower temperatures the antiferromagnetic coupling to the side coupled quantum dots leads to an underscreened $S=N/2$ Kondo effect. We present numerical results for the thermodynamic and spectral properties of the system which show a singular behavior at low temperatures and allow to characterize the different strongly correlated regimes of the device., Comment: 9 pages, 7 figures, to be published in Phys. Rev. B

We analyze the transport properties of a double quantum dot device in the side-coupled configuration. A small quantum dot (QD), having a single relevant electronic level, is coupled to source and drain electrodes. A larger QD, whose multilevel nature is considered, is tunnel-coupled to the small QD. A Fermi liquid analysis shows that the low temperature conductance of the device is determined by the total electronic occupation of the double QD. When the small dot is in the Kondo regime, an even number of electrons in the large dot leads to a conductance that reaches the unitary limit, while for an odd number of electrons a two stage Kondo effect is observed and the conductance is strongly suppressed. The Kondo temperature of the second stage Kondo effect is strongly affected by the multilevel structure of the large QD. For increasing level spacing, a crossover from a large Kondo temperature regime to a small Kondo temperature regime is obtained when the level spacing becomes of the order of the large Kondo temperature., Comment: 13 pages, 11 figures, minor changes

We analyze the electronic properties of adatom doped graphene in the low impurity concentration regime. We focus on the Anderson localized regime and calculate the localization length ($\xi$) as a function of the electron doping and an external magnetic field. The impurity states hybridize with carbon's $p_z$ states and form a partially filled band close to the Dirac point. Near the impurity band center, the chiral symmetry of the system's effective Hamiltonian is partially preserved which leads to a large enhancement of $\xi$. The sensitivity of transport properties, namely Mott's variable range hopping scale $T_0$, to an external magnetic field perpendicular to the graphene sheet leads to a colossal magnetoresistance effect, as observed in recent experiments., Comment: 5 pages, 4 figs. Few comments and references added. To appear in PRB

We study the solid-liquid transition of a model of pancake vortices in laminar superconductors using a density functional theory of freezing. The physical properties of the system along the melting line are discussed in detail. We show that there is a very good agreement with experimental data in the shape and position of the first order transition in the phase diagram and in the magnitude and temperature dependence of the magnetic induction jump at the transition. We analyze the validity of the Lindemann melting criterion and the Hansen-Verlet freezing criterion. Both criteria are shown to be good to predict the phase diagram in the region where a first order phase transition is experimentally observed., Comment: 9 pages, 10 figures

We calculate the thermopower of a quantum dot described by two doublets hybridized with two degenerate bands of two conducting leads, conserving orbital (band) and spin quantum numbers, as a function of the temperature $T$ and a splitting $\delta$ of the quantum dot levels which breaks the SU(4) symmetry. The splitting can be regarded as a Zeeman (spin) or valley (orbital) splitting. We use the non-crossing approximation (NCA), the slave bosons in the mean-field approximation (SBMFA) and also the numerical renormalization group (NRG) for large $\delta$. The model describes transport through clean C nanotubes %with weak disorder and in Si fin-type field effect transistors, under an applied magnetic field. The thermopower as a function of temperature $S(T)$ displays two dips that correspond to the energy scales given by the Kondo temperature $T_K$ and $\delta$ and one peak when $k_BT$ reaches the charge-transfer energy. These features are much more pronounced than the corresponding ones in the conductance, indicating that the thermopower is a more sensitive probe of the electronic structure at intermediate or high energies. At low temperatures ($T \ll T_K$) $T_K S(T)/T$ is a constant that increases strongly near the degeneracy point $\delta=0$. We find that the SBMFA fails to provide an accurate description of the thermopower for large $\delta$. Instead, a combination of Fermi liquid relations with the quantum-dot occupations calculated within the NCA gives reliable results for $T \ll T_K$., Comment: 8 pages, 7 figures

We study the charge and spin Seebeck effects in a spin-1 molecular junction as a function of temperature (T), applied magnetic field (H), and magnetic anisotropy (D) using Wilson's numerical renormalization group. A hard-axis magnetic anisotropy produces a large enhancement of the charge Seebeck coefficient Sc (\sim k_B/|e|) whose value only depends on the residual interaction between quasiparticles in the low temperature Fermi-liquid regime. In the underscreened spin-1 Kondo regime, the high sensitivity of the system to magnetic fields makes it possible to observe a sizable value for the spin Seebeck coefficient even for magnetic fields much smaller than the Kondo temperature. Similar effects can be obtain in C60 junctions where the control parameter is the gap between a singlet and a triplet molecular state., 5 pages, 4 figures

We study the electronic transport through a spin-1 molecule in which mechanical stretching produces a magnetic anisotropy. In this type of device, a vibron mode along the stretching axis will couple naturally to the molecular spin. We consider a single molecular vibrational mode and find that the electron-vibron interaction induces an effective correction to the magnetic anisotropy that shifts the ground state of the device toward a non-Fermi liquid phase. A transition into a Fermi liquid phase could then be achieved, by means of mechanical stretching, passing through an underscreened spin-1 Kondo regime. We present numerical renormalization group results for the differential conductance, the spectral density, and the magnetic susceptibility across the transition., 7 pages, 7 figures

We investigate the effect of mass imbalance in binary Fermi mixtures loaded in optical lattices. Using dynamical mean-field theory, we study the transition from a fluid to a Mott insulator driven by the repulsive interactions. For almost every value of the parameters we find that the light species with smaller bare mass is more affected by correlations than the heavy one, so that their effective masses become closer than their bare masses before a Mott transition occurs. The strength of the critical repulsion decreases monotonically as the mass imbalance grows so that the minimum is realized when one of the species is localized. The evolution of the spectral functions testifies that a continuous loss of coherence and a destruction of the Fermi liquid occur as the imbalance grows. The two species display distinct properties and experimentally-observable deviations from the behavior of a balanced Fermi mixture., 9 pages, 6 figures

We report low-temperature transport measurements through a double quantum dot device in a configuration where one of the quantum dots is coupled directly to the source and drain electrodes, and a second (side-coupled) quantum dot interacts electrostatically and via tunneling to the first one. As the interdot coupling increases, a crossover from weak to strong interdot tunneling is observed in the charge stability diagrams that present a complex pattern with mergings and apparent crossings of Coulomb blockade peaks. While the weak coupling regime can be understood by considering a single level on each dot, in the intermediate and strong coupling regimes, the multi-level nature of the quantum dots needs to be taken into account. Surprisingly, both in the strong and weak coupling regimes, the double quantum dot states are mainly localized on each dot for most values of the parameters. Only in an intermediate coupling regime the device presents a single dot-like molecular behavior as the molecular wavefunctions weight is evenly distributed between the quantum dots. At temperatures larger than the interdot coupling energy scale, a loss of coherence of the molecular states is observed., 9 pages, 5 figures

Using density functional theory (DFT), Hartree-Fock, exact diagonalization, and numerical renormalization group methods we study the electronic structure of diluted hydrogen atoms chemisorbed on graphene. A comparison between DFT and Hartree-Fock calculations allows us to identify the main characteristics of the magnetic structure of the defect. We use this information to formulate an Anderson-Hubbard model that captures the main physical ingredients of the system, while still allowing a rigorous treatment of the electronic correlations. We find that the large hydrogen-carbon hybridization puts the structure of the defect half-way between the one corresponding to an adatom weakly coupled to pristine graphene and a carbon vacancy. The impurity's magnetic moment leaks into the graphene layer where the electronic correlations on the C atoms play an important role in stabilizing the magnetic solution. Finally, we discuss the implications for the Kondo effect., 10 pages, 10 figs

We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp^3-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10^14 cm^-2) its electronic structure corresponds to a nearly pure sp^2 configuration. We interpret this sp^3-sp^2 doping-induced crossover in terms of a simple tight binding model and discuss the physical consequences of this change., Comment: 4 pages, 4 figures. Accepted in Phys. Rev. B. Rapid Comm

We analyze the electronic transport through a model spin-1 molecule as a function of temperature, magnetic field and bias voltage. We consider the effect of magnetic anisotropy, which can be generated experimentally by stretching the molecule. In the experimentally relevant regime the conductance of the unstretched molecule reaches the unitary limit of the underscreened spin- 1 Kondo effect at low temperatures. The magnetic anisotropy generates an antiferromagnetic coupling between the remaining spin 1/2 and a singular density of quasiparticles, producing a second Kondo effect and a reduced conductance. The results explain recent measurements in spin-1 molecules [Science 328 1370 (2010)]., 5 pages, 3 figures, minor changes, accepted for publication in EPL

The ability to make electrical contact to single molecules creates opportunities to examine fundamental processes governing electron flow on the smallest possible length scales. We report experiments in which we controllably stretch individual cobalt complexes having spin S = 1, while simultaneously measuring current flow through the molecule. The molecule's spin states and magnetic anisotropy were manipulated in the absence of a magnetic field by modification of the molecular symmetry. This control enabled quantitative studies of the underscreened Kondo effect, in which conduction electrons only partially compensate the molecular spin. Our findings demonstrate a mechanism of spin control in single-molecule devices and establish that they can serve as model systems for making precision tests of correlated-electron theories., main text: 5 pages, 4 figures; supporting information attached; to appear in Science.

We propose a method to directly measure the temperature of a gas of weakly interacting fermionic atoms loaded into an optical lattice. This technique relies on Raman spectroscopy and is applicable to experimentally relevant temperature regimes. Additionally, we show that a similar spectroscopy scheme can be used to obtain information on the quasiparticle properties and Hubbard bands of the metallic and Mott-insulating states of interacting fermionic spin mixtures. These two methods provide experimentalists with novel probes to accurately characterize fermionic quantum gases confined to optical lattices., Comment: 13 pages, 22 figures

We present an approach to the normal state of cuprate superconductors which is based on a minimal cluster extension of dynamical mean-field theory. Our approach is based on an effective two-impurity model embedded in a self-consistent bath. The two degrees of freedom of this effective model can be associated to the nodal and antinodal regions of momentum space. We find a metal-insulator transition which is selective in momentum space: At low doping quasiparticles are destroyed in the antinodal region, while they remain protected in the nodal region, leading to the formation of apparent Fermi arcs. We compare our results to tunneling and angular-resolved photoemission experiments on cuprates. At very low energy, a simple description of this transition can be given using rotationally invariant slave bosons., Comment: 22 pages, 27 figures

The problem of a magnetic impurity, atomic or molecular, absorbed on top of a carbon atom in otherwise clean graphene is studied using the numerical renormalization group. The spectral, thermodynamic, and scattering properties of the impurity are described in detail. In the presence of a small magnetic field, the low energy electronic features of graphene make possible to inject spin polarized currents through the impurity using a scanning tunneling microscope (STM). Furthermore, the impurity scattering becomes strongly spin dependent and for a finite impurity concentration it leads to spin polarized bulk currents and a large magnetoresistance. In gated graphene the impurity spin is Kondo screened at low temperatures. However, at temperatures larger than the Kondo temperature, the anomalous magnetotransport properties are recovered., 4+ pages, 4 figures. Added references

We introduce a valence-bond dynamical mean-field theory of doped Mott insulators. It is based on a minimal cluster of two orbitals, each associated with a different region of momentum space and hybridized to a self-consistent bath. The low-doping regime is characterized by singlet formation and the suppression of quasiparticles in the antinodal regions, leading to the formation of Fermi arcs. This is described in terms of an orbital-selective transition in reciprocal space. The calculated tunneling and photoemission spectra are consistent with the phenomenology of the normal state of cuprates. We derive a low-energy description of these effects using a generalization of the slave-boson method., 4+ pages, 4 figures

The low-temperature transport properties of a molecule are studied in the field-effect transitor geometry. The molecule has an internal mechanical mode that modulates its electronic levels and renormalizes both the interactions and the coupling to the electrodes. For a soft mechanical mode the spin fluctuations in the molecule are dominated by the bare couplings while the valence changes are determined by the dressed energies. In this case, the transport properties present an anomalous behavior and the Kondo temperature has a weak gate voltage dependence. These observations are in agreement with recent experimental data., Comment: 4 pages, 3 figures, accepted in PRB RC

We study the electron transport through a magnetic molecular transistor in the Kondo limit using the slave boson technique. We include the electron-phonon coupling and analyze the cases where the spin of the molecule is either S=1/2 or S=1. We use the Schrieffer-Wolff transformation to write down a low energy Hamiltonian for the system. In the presence of electron-phonon coupling, and for $S\smeq1$, the resulting Kondo Hamiltonian has two active channels. At low temperature, these two channels interfere destructively, leading to a zero conductance., 7 pages, 4 figures, to be published in PRB

The dynamical mean field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. An important step in this method involves the calculation of response functions of a multiorbital impurity problem which is related to the original model. Recently there has been considerable progress in the development of techniques based on the density matrix renormalization group (DMRG) and related matrix product states (MPS) implying a substantial improvement to previous methods. In this article we review some of the standard algorithms and compare them to the newly developed techniques, showing examples for the particular case of the half-filled two-band Hubbard model., Comment: 8 pages, 4 figures, to be published in EPL Perspectives

The Kondo effect in quantum dots attached to ferromagnetic leads with general polarization directions is studied combining poor man scaling and Wilson's numerical renormalization group methods. We show that polarized electrodes will lead in general to a splitting of the Kondo resonance in the quantum dot density of states except for a small range of angles close to the antiparallel case. We also show that an external magnetic field is able to compensate this splitting and restore the unitary limit. Finally, we study the electronic transport through the device in various limiting cases., 6 pages, 4 figures, final version

The zero temperature core-level photoemission spectrum is studied across the metal to Mott insulator transition using dynamical mean-field theory and Wilson's numerical renormalization group. An asymmetric power-law divergence is obtained in the metallic phase with an exponent alpha(U,Q)-1 which depends on the strength of both the Hubbard interaction U and the core-hole potential Q. For Q U_c) leading to a symmetric peak in the insulating phase. For Q >~ U_c/2, alpha remains finite close to the transition, but the integrated intensity of the power-law vanishes and there is no associated peak in the insulator. The weight and position of the remaining peaks in the spectra can be understood within a molecular orbital approach., Comment: 5 pages, 6 figures

Kondo screening of diluted magnetic impurities in a disordered host is studied analytically and numerically in one, two and three dimensions. It is shown that in the T_K \to 0 limit the distribution of Kondo temperatures has a universal form, P(T_K) \sim T_K^{-\alpha} that holds in the insulating phase and persists in the metallic phase close to the metal insulator transition. Moreover, the exponent \alpha depends only on the dimensionality. The most important consequence of this result is that the T-dependence of thermodynamic properties is smooth across the metal-insulator transition in three dimensional systems., Comment: 4 pages, 3 figures; added reference

The interplay of electron-electron and electron-phonon interactions is studied analytically in the Kondo regime. A Holstein electron-phonon coupling is shown to produce a weakening of the gate voltage dependence of the Kondo temperature and may explain the observed anomalies in some of these devices. A molecular center-of-mass mode opens a new channel for charge and spin fluctuations and in the antiadabatic limit the latter are described by an asymmetric two-channel Kondo model. Below the Kondo temperature the system develops a dynamical Jahn-Teller distortion and a low energy peak emerges in the phonon spectral density that could be observed in Raman microscopy experiments., Comment: 6 pages, 4 figures

We study the formation of local magnetic moments in quantum point contacts. Using a Hubbard-like model to describe point contacts formed in a two dimensional system, we calculate the magnetic moment using the unrestricted Hartree approximation. We analyze different type of potentials to define the point contact, for a simple square potential we calculate a phase diagram in the parameter space (Coulomb repulsion - gate voltage). We also present an analytical calculation of the susceptibility to give explicit conditions for the occurrence of a local moment, we present a simple scaling argument to analyze how the stability of the magnetic moment depends on the point contact dimensions., 7 pages, 2 figures

The conductance through a molecular device including electron-electron and electron-phonon interactions is calculated using the Numerical Renormalization Group method. At low temperatures and weak electron-phonon coupling the properties of the conductance can be explained in terms of the standard Kondo model with renormalized parameters. At large electron-phonon coupling a charge analog of the Kondo effect takes place that can be mapped into an anisotropic Kondo model. In this regime the molecule is strongly polarized by a gate voltage which leads to rectification in the current-voltage characteristics of the molecular junction., Comment: 4 pages, 4 figures, minor changes, added references

The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy levels and of the tunnelling barrier between the molecule and the electrodes. When both effects are present they lead to asymmetries in the dependence of the conductance on gate voltage. The Kondo effect is observed in the presence of electron-phonon interactions. There are important qualitative differences between the cases of weak and strong coupling. In the first case the standard Kondo effect driven by spin fluctuations occurs. In the second case, it is driven by charge fluctuations. The Fermi-liquid relation between the spectral density of the molecule and its charge is altered by electron-phonon interactions. Remarkably, the relation between the zero-temperature conductance and the charge remains unchanged. Therefore, there is perfect transmission in all regimes whenever the average number of electrons in the molecule is an odd integer., Comment: 9 pages, 6 figures

The transport properties of a double quantum-dot device with one of the dots coupled to perfect conductors are analyzed using the numerical renormalization group technique and slave-boson mean-field theory. The coupling between the dots strongly influences the transport through the system leading to a non-monotonic dependence of the conductance as a function of the temperature and the magnetic field. For small inter-dot coupling and parameters such that both dots are in the Kondo regime, there is a two-stage screening of the dot's magnetic moments that is reflected in the conductance. In an intermediate temperature regime Kondo correlations develop on one of the dots and the conductance is enhanced. At low temperatures the Kondo effect takes place on the second dot leading to a singlet ground state in which the conductance is strongly suppressed., Comment: 9 pages, 8 figures

We study the scanning tunneling microscopy response for magnetic atoms on open and structured surfaces using Wilson's renormalization-group theory. We observe Fano resonances associated with Kondo resonances and interference effects. For a magnetic atom in a quantum corral coupled to the confined surface states, and experimentally relevant parameters, we observe a large confinement-induced effect not present in the experiments. These results suggest that the Kondo screening is dominated by the bulk electrons rather than the surface ones.

We model a tridimensional vortex system in a sample with square superficial pinning in the top surface and obtain the ground state structures as a function of the sample thickness. Using a simple Frenkel-Kontorova like model and no adjustable parameters, we reproduce the experimental vortex configurations seen in the bottom surface and their range of stability. We find three phases with two transitions between them, including a continuous one from square to distorted hexagonal structure and a discontinuous one from distorted hexagonal to hexagonal structure., 4 pages, 4 figures

We study the transport through a quantum dot, in the Kondo Coulomb blockade valley, embedded in a mesoscopic device with finite wires. The quantization of states in the circuit that hosts the quantum dot gives rise to finite size effects. These effects make the conductance sensitive to the ratio of the Kondo screening length to the wires length and provide a way of measuring the Kondo cloud. We present results obtained with the numerical renormalization group for a wide range of physically accessible parameters., Comment: 4 pages, 5 figures

We present results for the spectral properties of Kondo impurities in nanoscopic systems. Using Wilson's renormalization group we analyze the frequency and temperature dependence of the impurity spectral density for impurities in small systems that are either isolated or in contact with a reservoir. We have performed a detailed analysis of the structure of the impurity spectral density for energies around the Fermi energy for different Fermi energies relative to the intrinsic structure of the local density of states. We show how the electron confinement energy scales introduce new features in the frequency and temperature dependence of the impurity spectral properties., Comment: 8 pages, 9 figures