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Adolfo Avella

Publications and source records attributed to Adolfo Avella.

At least 19 recordsLinked to original sources

Role of Resonant $\mathbf{k}$-Points in the Transient Optical Response of Pumped Germanium

Pump-induced transient optical properties combine contributions from electronic states throughout the Brillouin zone, but the relative relevance of off-resonant and l-photon resonant crystal momenta has remained unexplored. We address this issue in pumped germanium by resolving the transient absorptive response into momentum-space classes defined by the presence or absence of 1-, 2-, and 3-photon resonances with respect to the pump. Using the Dynamical Projective Operatorial Approach together with the related generalized linear response theory, we compute the differential imaginary part of the dielectric function and evaluate the contributions of each resonance class. Resonant regions account for nearly the entire optical response, whereas points outside the identified resonance sets contribute only negligibly. Nevertheless, the 2-photon-resonant set, although containing more than 98% of the residual (post-pump) excitation population, does not reproduce the full transient spectrum. Conversely, resonance classes with very small residual populations generate non-negligible contributions to the transient optical properties. This mismatch shows that the transient optical weight is not determined solely by the real-charge dynamics (which results in post-pulse residual excitation population) and is consistent with substantial virtual pump-induced contributions, whose dominant optical weight nevertheless arises from the resonant regions of momentum space. The class-resolved phase of the dominant 2$\omega_{\mathrm{pu}}$ oscillations further shows that, whenever a class contributes appreciably, the phase of its oscillatory component follows that of the corresponding full signal. The resulting decomposition provides a momentum-resolved connection among multi-photon resonances and transient optical observables in a realistic material.

cond-mat.mtrl-sci

Time-resolved ARPES in pumped excitonic systems: Floquet physics induced by excitonic fields

We develop a theoretical framework based on the Dynamical Projective Operatorial Approach (DPOA) to study the time- and angle-resolved photoemission spectroscopy (TR-ARPES) of pumped excitonic systems. Including Coulomb electron-electron interactions at the Hartree-Fock (HF) level, our formalism captures the formation of excitonic bound states under the application of pump pulses. Considering a prototypical two-dimensional two-band semiconductor, we analyze the equilibrium phase diagram, which shows the expected transition from a semiconducting to an excitonic-insulator phase as the Coulomb interaction strength or its range increase. Out of equilibrium, we find that when the pump frequency is resonant with an excitonic mode, coherent oscillations of the excitonic order parameter persist after the pump pulse subsides and give rise to clear Floquet sidebands in the TR-ARPES spectrum. These exciton-field-induced sidebands are distinct from those originating from the pump laser field. We also identify band-resonance-induced sidebands arising from residual coherences at momenta where the band gap is resonant with the pump frequency. Finally, we analyze the local Coulomb interaction limit. Our results corroborate recent experimental observations of exciton-field-induced Floquet-like sidebands and establish DPOA as an efficient and accurate method for simulating ultrafast phenomena in interacting electron systems.

cond-mat.mtrl-sci

Controlling Ultrafast Excitations in Germanium:The Role of Pump-Pulse Parameters and Multi-Photon Resonances

We employ the Dynamical Projective Operatorial Approach (DPOA) to investigate the ultrafast optical excitations of germanium under intense, ultrashort pump pulses. The method has very low resource demand relative to many other available approaches and enables detailed calculation of the residual electron and hole populations induced by the pump pulse. It provides direct access to the energy distribution of excited carriers and to the total energy transferred to the system. By decomposing the response into contributions from different multi-photon resonant processes, we systematically study the dependence of excited-carrier density and absorbed energy on key pump-pulse parameters: duration, amplitude, and photon energy. Our results reveal a complex interplay between these parameters, governed by resonant Rabi-like dynamics and competition between different multi-photon absorption channels. For the studied germanium setup, we find that two-photon processes are generally dominant, while one- and three-photon channels become significant under specific conditions of pump-pulse frequency, duration, and intensity. This comprehensive analysis offers practical insights for optimizing ultrafast optical control in semiconductors by targeting specific multi-photon pathways.

physics.optics

Magneto-optical Kerr effect in pump-probe setups

We develop a general theoretical framework for computing the time-resolved magneto-optical Kerr effect in ultrafast pump-probe setups, formulated within the Dynamical Projective Operatorial Approach (DPOA) and its application to the generalized linear-response theory for pumped systems. Furthermore, we exploit this formalism to express the post-pump optical conductivity and consequently the Kerr rotation in terms of the time-evolved single-particle density matrix (SPDM), providing a transparent and computationally efficient description of photo-excited multi-band systems. This extension, in addition to its lower computational cost, has the advantage of allowing the inclusion of phenomenological damping. We illustrate the formalism using both (i) a two-band tight-binding model, which captures the essential physics of ultrafast spin-charge dynamics and the Kerr rotation, and (ii) weakly spin-polarized germanium, as a realistic playground with a complex band structure. The results demonstrate that, by exploiting DPOA and/or its SPDM extension, one can reliably reproduce both the short-time features under the pump-pulse envelope and the long-time dynamics after excitation, offering a versatile framework for analyzing time-resolved magneto-optical Kerr effect experiments in complex materials. Moreover, this analysis clearly shows that the Kerr rotation can be used to deduce experimentally the relevant n-photon resonances for a given specific material.

cond-mat.mtrl-sci

Controlling photo-excited electron-spin by light-polarization in ultrafast-pumped altermagnets

Altermagnets (AMs) constitute a novel class of spin-compensated materials in which the symmetry connecting opposite-spin sublattices involves a spatial rotation. Here, we uncover a set of unique non-linear, light-driven properties that set AMs apart from traditional ferro- and antiferromagnets. We demonstrate theoretically that the polarization of an electromagnetic pulse that photo-excites electrons and holes in an AM, controls the spin orientation of these non-equilibrium charge carriers. For a d-wave AM model and a prototype material, we show that very large post-pump spin polarizations may be attained by exploiting resonances. We show that this protocol also allows, in an AM, to directly probe the spin splitting of the electronic states in energy and momentum space. Thus, it can be used to identify and characterize altermagnetic materials via ultrafast pump-probe Kerr/Faraday spectroscopy or spin- and time-resolved ARPES. This opens up the possibility of devising ultrafast optical switches of non-equilibrium spin-polarization, finely tunable by adjusting the pump-pulse characteristics.

cond-mat.mtrl-sci

Generalized Linear Response Theory for Pumped Systems and its Application to Transient Optical Properties

We derive the two-time linear response theory for out-of-equilibrium pumped systems, generic pump-probe delays and probe frequencies. Such a theory enormously simplifies the numerical calculations, for instance, of the optical conductivity with respect to the actual procedure, which requires computing the effect of the probe pulse for each time delay with respect to the pump pulse. The theory is given for a generic observable and pumped Hamiltonian and then specialized for a system with a quadratic Hamiltonian and its transient optical properties, exploiting the Dynamical Projective Operatorial Approach (DPOA). The theory is complemented by a set of crucial numerical guidelines that help perform actual calculations in a computationally affordable way. The optical response (differential transient reflectivity and absorption) of a prototypical three-band (core, valence, and conduction) model in the XUV regime is analyzed in detail to illustrate the theory and its application. Using some generalizations of the density of states, we provide a systematic approach to exploring the optical properties in terms of the system band structure features and the pump parameters. Such an analysis can be extremely helpful in understanding the actual results of experimental optical measurements. Moreover, we study the effects of inter-band and intra-band transitions, the local dipole coupling, and single and multi-photon processes. The latter is further investigated by varying the central frequency of the pump pulse to have different regions of the first Brillouin zone in resonance with it. We also study the effect of varying the pump pulse intensity. Finally, we study and analyze the transient optical properties in the probe pulse regime of IR and visible.

physics.optics

Paradigm for finding d-electron heavy fermions: the case of Cr-doped CsFe$_2$As$_2$

We define a general strategy for finding new heavy-fermionic materials without rare-earth elements: doping a Hund metal with pronounced orbital-selective correlations towards half-filling. We argue that in general band structures a possible orbital-selective Mott transition is frustrated by inter-orbital hopping into heavy-fermion behaviour - where d-orbitals provide both the heavy and the light electrons - which is enhanced when approaching half-filling. This phase ultimately disappears due to magnetic correlations, as in a standard Doniach diagram. Experimentally we have further hole doped CsFe$_2$As$_2$, a Hund metal with 0.5 electrons/Fe away from half-filling, and obtained a heavy fermionic state with the highest Sommerfeld coefficient for Fe-pnictides to date (270 mJ/mol K$^2$), before signatures of an antiferromagnetic phase set in.

cond-mat.str-el

TR-ARPES Signal in Pumped Semiconductors within Dynamical Projective Operatorial Approach (DPOA)

In this manuscript, after discussing in detail the internals of our recently developed method, the dynamical projective operatorial approach (DPOA), we provide the framework to apply this method to pumped semiconductor lattice systems and, in particular, to study and analyze their electronic excitations and TR-ARPES signal. The expressions for relevant out-of-equilibrium Green's functions and TR-ARPES signal are given within the DPOA framework and, defining a retarded TR-ARPES signal, it is shown that it is possible to obtain an out-of-equilibrium version of the fluctuation-dissipation theorem. We clarify how single- and multi-photon resonances, rigid shifts, band dressings, and different types of sidebands emerge in the TR-ARPES signal. We also propose protocols for evaluating the strength of single- and multi-photon resonances and for assigning the residual excited electronic population at each crystal momentum and band to a specific excitation process. Hamiltonians, where intra- and inter-band transitions are selectively inhibited, are defined and used to analyze the effects on the TR-ARPES signal and the residual electronic excited population. Three relevant cases of light-matter coupling are examined within the dipole gauge: only a local dipole, only the Peierls substitution in the hopping term, and both terms at once. The transient and residual pump effects are studied in detail, including the consequences of the lattice symmetries at different crystal momenta on the TR-ARPES signal. A detailed study of the dependence of the TR-ARPES signal on the probe-pulse characteristics is also reported. To provide a guideline for understanding the complex effects and interplays and the variety of possible physical phenomena without being limited by the characteristics of a single particular real material, we have chosen to study a prototypical pumped two-band semiconductor lattice system.

cond-mat.mtrl-sci

Field-driven attosecond photoinjection dynamics in semiconductors

The route towards manipulation of the optoelectronic properties of matter beyond the current limits of electronics starts from a comprehensive study of the ultrafast dynamics triggered by interaction with light. Among them, a fundamental role is played by charge photoinjection, a complex process that stems from the interplay of many different physical phenomena, which cannot be easily disentangled. Single- and multi-photon absorption, diabatic tunnelling, intra-band motion, and field-driven band dressing, all concur in determining the overall excited electron population, dictating the electro-optical properties of a material. Here we investigate ultrafast photoinjection in a prototypical semiconductor (monocrystalline germanium) by using attosecond transient reflection spectroscopy. The precise pump-field characterization ensured by a simultaneous attosecond streaking experiment, in tandem with a comprehensive theoretical approach, allowed us to disentangle the different physical phenomena unfolding at different positions in the reciprocal space and at different timing within the envelope of the pump pulse. Moreover, we found that intra-band phenomena hinder charge injection, in contrast to what was previously observed for resonant, direct band-gap semiconductors. Therefore, besides other known parameters as the central wavelength and peak intensity, our results indicate that the pulse temporal envelope and the local band structure probed by intra-band effects are of key importance to achieve an optimal control over the ultrafast carrier injection process and tailor the complex optical and electronic properties of a semiconductor on the few- to sub-femtosecond time scale.

physics.optics

Superconductivity induced by structural reorganization in the electron-doped cuprate Nd$_{2-x}$Ce$_x$CuO$_4$

Electron-doped and hole-doped superconducting cuprates exhibit a symmetric phase diagram as a function of doping. This symmetry is however only approximate. Indeed, electron-doped cuprates become superconductors only after a specific annealing process: This annealing affects the oxygen content by only a tiny amount, but has a dramatic impact on the electronic properties of the sample. Here we report the occurrence of superconductivity in oxygen-deficient Nd$_{2-x}$Ce$_x$CuO$_4$ thin films grown in an oxygen-free environment, after annealing in pure argon flow. As verified by x-ray diffraction, annealing induces an increase of the interlayer distance between CuO$_2$ planes in the crystal structure. Since this distance is correlated to the concentration of oxygens in apical positions, and since oxygen content cannot substantially increase during annealing, our experiments indicate that the superconducting phase transition has to be ascribed to a migration of oxygen ions to apical positions during annealing. Moreover, as we confirm via first-principles density functional theory calculations, the changes in the structural and transport properties of the films can be theoretically described by a specific redistribution of the existing oxygen ions at apical positions with respect to CuO$_2$ planes, which remodulates the electronic band structure and suppresses the antiferromagnetic order, allowing the emergence of hole superconductivity.

cond-mat.supr-con

Local properties of the t-J model in a two-pole approximation within COM

In this work, we study the t-J model using a two-pole approximation within the composite operator method. We choose a basis of two composite operators -- the constrained electrons and their spin-fluctuation dressing -- and approximate their currents in order to compute the corresponding Green's functions. We exploit the algebraic constraints obeyed by the basis operators to close a set of self-consistent equations that is numerically solved. This allows to determine the physical parameters of the system such as the spin-spin correlation function and the kinetic energy. Our results are compared to those of an exact numerical method on a finite system to asses their reliability. Indeed, a very good agreement is achieved through a far less numerically demanding and a more versatile procedure. We show that by increasing the hole doping, anti-ferromagnetic correlations are replaced by ferromagnetic ones. The behavior on changing temperature and exchange integral is also studied and reported.

cond-mat.str-el

Orbital Rotations induced by Charges of Polarons and Defects in Doped Vanadates

We explore the competiton of doped holes and defects that leads to the loss of orbital order in vanadate perovskites. In compounds such as La$_{1-{\sf x}}$Ca$_{\,\sf x}$VO$_3$ spin and orbital order result from super-exchange interactions described by an extended three-orbital degenerate Hubbard-Hund model for the vanadium $t_{2g}$ electrons. Long-range Coulomb potentials of charged Ca$^{2+}$ defects and $e$-$e$ interactions control the emergence of defect states inside the Mott gap. The quadrupolar components of the Coulomb fields of doped holes induce anisotropic orbital rotations of degenerate orbitals. These rotations modify the spin-orbital polaron clouds and compete with orbital rotations induced by defects. Both mechanisms lead to a mixing of orbitals, and cause the suppression of the asymmetry of kinetic energy in the $C$-type magnetic phase. We find that the gradual decline of orbital order with doping, a characteristic feature of the vanadates, however, has its origin not predominantly in the charge carriers, but in the off-diagonal couplings of orbital rotations induced by the charges of the doped ions.

cond-mat.str-el

Anisotropic Time-Domain Electronic Response in Cuprates

Superconductivity in the cuprates is characterized by spatial inhomogeneity and an anisotropic electronic gap of d-wave symmetry. The aim of this work is to understand how this anisotropy affects the non-equilibrium electronic response of high-Tc superconductors. We compare the nodal and antinodal non-equilibrium response to photo-excitations with photon energy comparable to the superconducting gap and polarization along the Cu-Cu axis of the sample. The data are supported by an effective d-wave BCS model indicating that the observed enhancement of the superconducting transient signal mostly involves an increase of pair coherence in the antinodal region, which is not induced at the node.

cond-mat.supr-con

Spin-orbit coupling effects on the electronic properties of the pressure-induced superconductor CrAs

We present the effects of spin-orbit coupling on the low-energy bands and Fermi surface of the recently discovered pressure-induced superconductor CrAs. We apply the Löwdin down-folding procedure to a tight-binding hamiltonian that includes the intrinsic spin-orbit interaction, originating from the Cr 3d electrons as well as from As 4p ones. Our results indicate that As contributions have negligible effects, whereas the modifications to the band structure and the Fermi surface can be mainly ascribed to the Cr contribution. We show that the inclusion of the spin-orbit interaction allows for a selective removal of the band degeneracy due to the crystal symmetries, along specific high symmetry lines. Such release of the band degeneracy naturally determines a reconstruction of the Fermi surface, including the possibility of changing the number of pockets.

cond-mat.supr-con

Defect-induced orbital polarization and collapse of orbital order in doped vanadium perovskites

We explore mechanisms of orbital order decay in doped Mott insulators $R_{1-x}$(Sr,Ca)$_x$VO$_3$ ($R=\,$Pr,Y,La) caused by charged (Sr,Ca) defects. Our unrestricted Hartree-Fock analysis focuses on the combined effect of random, charged impurities and associated doped holes up to $x=0.5$. The study is based on a generalized multi-band Hubbard model for the relevant vanadium $t_{2g}$ electrons, and includes the long-range (i) Coulomb potentials of defects and (ii) electron-electron interactions. We show that the rotation of occupied $t_{2g}$ orbitals, induced by the electric field of defects, is a very efficient perturbation that largely controls the suppression of orbital order in these compounds. We investigate the inverse participation number spectra and find that electron states remain localized on few sites even in the regime where orbital order is collapsed. From the change of kinetic and superexchange energy we can conclude that the motion of doped holes, which is the dominant effect for the reduction of magnetic order in high-$T_c$ compounds, is of secondary importance here.

cond-mat.str-el

A minimal tight-binding model for the quasi-one-dimensional superconductor K2Cr3As3

We present a systematic derivation of a minimal five-band tight-binding model for the description of the electronic structure of the recently discovered quasi one-dimensional superconductor K2Cr3As3. Taking as a reference the density-functional theory (DFT) calculation, we use the outcome of a Lowdin procedure to refine a Wannier projection and fully exploit the predominant weight at the Fermi level of the states having the same symmetry of the crystal structure. Such states are described in terms of five atomic-like d orbitals: four planar orbitals, two dxy and two dx2-y2, and a single out-of-plane one, dz2 . We show that this minimal model reproduces with great accuracy the DFT band structure in a broad energy window around the Fermi energy. Moreover, we derive an explicit simplified analytical expression of such model, which includes three nearest-neighbor hopping terms along the z direction and one nearest-neighbor term within the xy plane. This model captures very efficiently the energy spectrum of the system and, consequently, can be used to study transport properties, superconductivity and dynamical effects in this novel class of superconductors.

cond-mat.supr-con

Signatures of enhanced superconducting phase coherence through MID-IR excitation in optimally doped Y-Bi2212

Optimally doped cuprate superconductors are characterized by the presence of superconducting fluctuations in a relatively large temperature region above the critical transition temperature. We reveal here that the effect of thermal disorder, which decreases the condensate phase coherence at equilibrium, can be dynamically contrasted by photoexcitation with ultrashort mid-infrared pulses. In particular, our findings reveal that light pulses with photon energy comparable to the amplitude of the superconducting gap and polarized in plane along the copper-copper direction [110] can dynamically enhance the optical response which is associated to the onset of superconductivity. We propose that this effect could be rationalized by an effective d-wave BCS model, which reveals that mid-infrared pulses result in a transient increase of the phase coherence.

cond-mat.str-el

Optimizing the tight-binding parametrization of the quasi-one-dimensional superconductor K2Cr3As3

We study the tight-binding dispersion of the recently discovered superconductor K2Cr3As3, obtained from Wannier projection of Density Functional Theory (DFT) results. In order to establish quantitatively the actual degree of quasi-one dimensionality of this compound, we analyze the electronic band structure for two reduced sets of hopping parameters: one restricted to the Cr-As tubes and another one retaining a minimal number of in-plane hoppings. The corresponding total and local density of states of the compound are also computed with the aim of assessing the tight-binding results with respect to the DFT ones. We find a quite good agreement with the DFT results for the more extended set of hopping parameters, especially for what concerns the orbitals that dominate at the Fermi level. Accordingly, we conclude that one cannot avoid taking into account in-plane hoppings up to the next-nearest-neighbors cells even only to describe correctly the Fermi surface cuts and the populations along the kz direction. Such a choice of a minimal number of hopping parameters directly reflects in the possibility of correctly describing correlations and magnetic interactions.

cond-mat.supr-con