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A. A. Aligia

Publications and source records attributed to A. A. Aligia.

At least 37 records · Page 2Linked to original sources
arXiv2021

Magnetic properties of chiral EuIr$_2$P$_2$

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.

cond-mat.other↗
arXiv2021

Iron phthalocyanine on Au(111) is a "non-Landau" Fermi liquid

The paradigm of Landau's Fermi liquid theory has been challenged with the finding of a strongly interacting Fermi liquid that cannot be adiabatically connected to a non-interacting system. A spin-1 two-channel Kondo impurity with anisotropy D has a quantum phase transition between two topologically different Fermi liquids with a peak (dip) in the Fermi level for D < Dc (D > Dc). Extending this theory to general multi-orbital problems with finite magnetic field, we reinterpret in a unified and consistent fashion several experimental studies of iron phthalocyanine molecules on Au(111) that were previously described in disconnected and conflicting ways. The differential conductance shows a zero-bias dip that widens when the molecule is lifted from the surface (reducing the Kondo couplings) and is transformed continuously into a peak under an applied magnetic field. We reproduce all features and propose an experiment to induce the topological transition.

cond-mat.str-el↗
arXiv2021

Ginzburg-Landau theory for the magnetic and structural transitions in La$_{1-y}$(Ca$_{1-x}$Sr$_{x}$)$_{y}$MnO$_{3}$

We present a phenomenological theory for the ferromagnetic transition temperature, the magnetic susceptibility at high temperatures, and the structural distortion in the La$_{1-y}$(Ca$_{1-x}$Sr$_{x}$)$_{y}$MnO$_{3}$ system. We construct a Ginzburg-Landau free energy that describes the magnetic and the structural transitions, and a competition between them. The parameters of the magnetic part of the free energy are derived from a mean-field solution of the magnetic interaction for arbitrary angular momentum. The theory provides a qualitative description of the observed magnetic and structural phase transitions as functions of Sr-doping level ($x$) for $y=0.25$.

cond-mat.str-el↗
arXiv2021

Magnon-assisted dynamics of a hole doped in a cuprate superconductor

We calculate the quasiparticle dispersion and spectral weight of the quasiparticle that results when a hole is added to an antiferromagnetically ordered CuO$_2$ plane of a cuprate superconductor. We also calculate the magnon contribution to the quasiparticle spectral function. We start from a multiband model for the cuprates considered previously [Nat. Phys. \textbf{10}, 951 (2014)]. We map this model and the operator for creation of an O hole to an effective one-band generalized $t-J$ model, without free parameters. The effective model is solved using the state of the art self-consistent Born approximation. Our results reproduce all the main features of experiments. They also reproduce qualitatively the dispersion of the multiband model, giving better results for the intensity near wave vector $(π,π)$, in comparison with the experiments. In contrast to what was claimed in [Nat. Phys. \textbf{10}, 951 (2014)], we find that spin fluctuations play an essential role in the dynamics of the quasiparticle, and hence in both its weight and dispersion.

cond-mat.supr-con↗
arXiv2020

Comment on "Relevance of Cu-3d multiplet structure in models of high Tc cuprates''

In a recent work [M. Jiang, M. Moeller, M. Berciu, and G. A. Sawatzky, Phys. Rev. B \textbf{101}, 035151 (2020)], the authors solved a model with a Cu impurity in an O-2p band as an approximation to the local electronic structure of a hole doped cuprate. One of their conclusions is that the ground-state has only $\sim 50$ \% overlap with a Zhang-Rice singlet (ZRS). This claim is based on the definition of the ZRS in a different representation, in which the charge fluctuations at the Cu site have been eliminated by a canonical transformation. The correct interpretation of the results, based on known low-energy reduction procedures for a multiband model including 3d$^8$ and 3d$^{10}$ configurations of Cu, indicates that this overlap is near 94 \%.

cond-mat.str-el↗
arXiv2020

Theory of differential conductance of Co on Cu(111) including Co s and d orbitals, and surface and bulk Cu states

We revisit the theory of the Kondo effect observed by a scanning-tunneling microscope (STM) for transition-metal atoms (TMAs) on noble-metal surfaces, including $d$ and $s$ orbitals of the TMA, surface and bulk conduction states of the metal, and their hoppingto the tip of the STM. Fitting the experimentally observed STM differential conductance for Co on Cu(111) including both, the Kondo feature near the Fermi energy and the resonance below the surface band, we conclude that the STM senses mainly the Co $s$ orbital and that the Kondo antiresonance is due to interference between states with electrons in the $s$ orbital and a localized $d$ orbital mediated by the conduction states.

cond-mat.mes-hall↗
arXiv2019

Heat current across a capacitively coupled double quantum dot for high magnetic field

We study the heat current through two capacitively coupled quantum dots coupled in series with two conducting leads at different temperatures $T_L$ and $T_R$ in the spinless case (valid for a high applied magnetic field). Our results are also valid for the heat current through a single quantum dot with strongly ferromagnetic leads pointing in opposite directions (so that the electrons with given spin at the dot can jump only to one lead) or through a quantum dot with two degenerate levels with destructive quantum interference and high magnetic field. Although the charge current is always zero, the heat current is finite when the interdot Coulomb repulsion $U$ is taken into account due to many-body effects. We study the thermal conductance as a function of temperature and the dependence of the thermal current with the couplings to the leads, $T_L-T_R$, energy levels of the dots and $U$, including conditions for which an orbital Kondo regime takes place. When the energy levels of the dots are different, the device has rectifying properties for the thermal current. We find that the ratio between the thermal current resulting from a thermal bias $T_L>T_R$ and the one from $T_L<T_R$ is maximized for particular values of the energy levels, one above and the other below the Fermi level.

cond-mat.mes-hall↗
arXiv2019

Fully compensated Kondo effect for a two-channel spin S=1 impurity

We study the low-temperature properties of the generalized Anderson impurity model in which two localized configurations, one with two doublets and the other with a triplet, are mixed by two degenerate conduction channels. By using the numerical renormalization group and the non-crossing approximation, we analyze the impurity entropy, its spectral density, and the equilibrium conductance for several values of the model parameters. Marked differences with respect to the conventional one-channel spin $s=1/2$ Anderson model, that can be traced as hallmarks of an impurity spin $S=1$, are found in the Kondo temperature, the width and position of the charge transfer peak, as well as the temperature dependence of the equilibrium conductance. Furthermore, we analyze the rich effects of a single-ion magnetic anisotropy $D$ on the Kondo behavior. In particular, as shown before, for large enough positive $D$ the system behaves as a "non-Landau" Fermi liquid that cannot be adiabatically connected to a non-interacting system turning off the interactions. For negative $D$ the Kondo effect is strongly suppressed. The model studied is suitable for a comprehensive analysis for recent investigations of a single Ni impurity embedded into an Au chain.

cond-mat.str-el↗
arXiv2019

Destructive quantum interference in transport through molecules with electron-electron and electron-vibration interactions

We study the transport through a molecular junction exhibiting interference effects. We show that these effects can still be observed in the presence of molecular vibrations if Coulomb repulsion is taken into account. In the Kondo regime, the conductance of the junction can be changed by several orders of magnitude by tuning the levels of the molecule, or displacing a contact between two atoms, from nearly perfect destructive interference to values of the order of 2e 2 /h expected in Kondo systems. We also show that this large conductance change is robust for reasonable temperatures and voltages for symmetric and asymmetric tunnel couplings between the source-drain electrodes and the molecular orbitals. This is relevant for the development of quantum interference effect transistors based on molecular junctions.

cond-mat.str-el↗
arXiv2019

Spin and orbital ordering in bilayer Sr$_3$Cr$_2$O$_7$

Using maximally localized Wannier functions obtained from DFT calculations, we derive an effective Hubbard Hamiltonian for a bilayer of Sr$_3$Cr$_2$O$_7$, the $n=2$ member of the Ruddlesden-Popper Sr$_{n+1}$Cr$_n$O$_{3n+1}$ system. The model consists of effective $t_{2g}$ orbitals of Cr in two square lattices, one above the other. The model is further reduced at low energies and two electrons per site, to an effective Kugel-Khomskii Hamiltonian that describes interacting spins 1 and pseudospins 1/2 at each site describing spin and orbitals degrees of freedom respectively. We solve this Hamiltonian at zero temperature using pseudospin bond operators and spin waves. Our results confirm a previous experimental and theoretical study that proposes spin ordering antiferromagnetic in the planes and ferromagnetic between planes, while pseudospins form vertical singlets, although the interplane separation is larger than the nearest-neighbor distance in the plane. We explain the physics behind this rather unexpected behavior.

cond-mat.str-el↗
arXiv2018

Calculation of the four-spin cyclic exchange in cuprates

Starting from the three-band Hubbard model for the cuprates, we calculate analytically the four-spin cyclic exchange in the limit of infinite on-site Coulomb repulsion and zero O-O hopping $t_{pp}$ using two methods: i) perturbation theory in $t_{pd}/Δ$, where $t_{pd}$ is the Cu-O hopping and $Δ$ the Cu-O charge transfer energy and ii) exact solution of a Cu$_4$O$_4$ plaquette. The latter method coincides with the first to order eight in $t_{pd}$ and permits to extend the results to $t_{pd}/Δ$ of order one. The results are relevant to recent experimental and theoretical research that relate the splitting of certain spin excitations with $Δ$ and the superconducting critical temperature.

cond-mat.str-el↗
arXiv2018

Quantifying the leading role of the surface state in the Kondo effect of Co/Ag(111)

Using a combination of scanning tunneling spectroscopy and atomic lateral manipulation, we obtained a systematic variation of the Kondo temperature ($T_\mathrm K$) of Co atoms on Ag(111) as a function of the surface state contribution to the total density of states at the atom adsorption site ($ρ_s$). By sampling the $T_\mathrm K$ of a Co atom on positions where $ρ_s$ was spatially resolved beforehand, we obtain a nearly linear relationship between both magnitudes. We interpret the data on the basis of an Anderson model including orbital and spin degrees of freedom (SU(4)) in good agreement with the experimental findings. The fact that the onset of the surface band is near the Fermi level is crucial to lead to the observed linear behavior. In the light of this model, the quantitative analysis of the experimental data evidences that at least a quarter of the coupling of Co impurities with extended states takes place through the hybridization to surface states. This result is of fundamental relevance in the understanding of Kondo screening of magnetic impurities on noble metal surfaces, where bulk and surface electronic states coexist.

cond-mat.str-el↗
arXiv2018

Two-stage three-channel Kondo physics for an FePc molecule on the Au(111) surface

We study an impurity Anderson model to describe an iron phthalocyanine (FePc) molecule on Au(111), motivated by previous results of scanning tunneling spectroscopy (STS) and theoretical studies. The model hybridizes a spin doublet consisting in one hole at the $3d_{z^2}$ orbital of iron and two degenerate doublets corresponding to one hole either in the $3d_{xz}$ or in the $3d_{yz}$ orbital (called $π$ orbitals) with two degenerate Hund-rule triplets with one hole in the $3d_{z}$ orbital and another one in a $π$ orbital. We solve the model using a slave-boson mean-field approximation (SBMFA). For reasonable parameters we can describe very well the observed STS spectrum between sample bias -60 mV to 20 mV. For these parameters the Kondo stage takes place in two stages, with different energy scales $T_K^z > T_K^π$ corresponding to the Kondo temperatures related with the hopping of the $z^2$ and $π$ orbitals respectively. There is a strong interference between the different channels and the Kondo temperatures, particularly the lowest one is strongly reduced compared with the value in the absence of the competing channel.

cond-mat.str-el↗
arXiv2018

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 $DS_z^2$-- 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 $D_c,$ between two regular Fermi liquid phases of high (low) conductance and topological number $2 I_L/π= 0$ (-1) for $D < D_c$ ($D > D_c$), where $I_L$ is the well-known Luttinger integral. At finite temperature the two phases are separated by a non-Fermi liquid phase with fractional impurity entropy $\frac{1}{2}{\rm ln}2$ and other properties which remind those of the two-channel Kondo model.

cond-mat.str-el↗
arXiv2018

Generalized one-band model based on Zhang-Rice singlets for Tetragonal CuO

Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized $t\!-\!J$ model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous \textit{ab initio} calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half-filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized $t\!-\!J$ model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

cond-mat.supr-con↗
arXiv2018

Leading temperature dependence of the conductance in Kondo-correlated quantum dots

Using renormalized perturbation theory in the Coulomb repulsion, we derive an analytical expression for the leading term in the temperature dependence of the conductance through a quantum dot described by the impurity Anderson model, in terms of the renormalized parameters of the model. Taking these parameters from the literature, we compare the results with published ones calculated using the numerical renormalization group obtaining a very good agreement. The approach is superior to alternative perturbative treatments. We compare in particular to the results of a simple interpolative perturbation approach.

cond-mat.str-el↗
arXiv2017

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

We calculate the width $2Δ_{\text{CT}}$ and intensity of the charge-transfer peak (the one lying at the on-site energy $E_d$) in the impurity spectral density of states as a function of $E_d$ 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 $E_d \gg Δ$, where $Δ$ is the resonant level half-width, $Δ_{\text{CT}}=Δ$ as expected in the noninteracting case, for $-E_d \gg N Δ$ one has $Δ_{\text{CT}}=NΔ$. In the $N$=2 case, some effects of the variation of $% Δ_{\text{CT}}$ with $E_d$ were observed in the conductance through a quantum dot connected asymmetrically to conducting leads at finite bias [J. Könemann \textit{et al.}, Phys. Rev. B \textbf{73}, 033313 (2006)]. 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.

cond-mat.str-el↗