arXiv subjects

José Lorenzana

Publications and source records attributed to José Lorenzana.

At least 19 recordsLinked to original sources

arXiv2026

Two-phonon pairing and superconductivity in $SrTiO_3$

We explore the possibility that the two-phonon pairing mechanism proposed by Ngai can explain superconductivity in doped strontium titanate (STO). The two-phonon deformation potential is evaluated using two distinct theoretical estimates based on first-principles calculations and two empirical estimates based on experimental data, yielding very large values of the same order of magnitude. We derive the effective electron-electron interaction mediated by two-phonon exchange. Crucial to our computations is the strong dispersion of the involved soft phonons. Because the scale of the two-phonon interaction is much larger than the Fermi energy, the Migdal theorem does not apply. We obtain a one-loop Eliashberg equation that can be solved in the weak-coupling limit. We find that despite the significant electron-phonon matrix element, phase space considerations considerably reduce the effective coupling. A two-phonon mechanism can not be excluded based on the $T_c$ magnitude, but its value is dominated by the high-energy-frequency physics and is weakly affected by the soft-phonon behavior. The theory predicts a $T_c$ that monotonously increases with doping, which is not in accordance with the experiment. We identify the conditions for a two-phonon mechanism to be effective in other materials and discuss possible candidates.

cond-mat.supr-con↗

arXiv2026

Graphene lattice recoil in hard X-ray photoemission: Experiment and Theory

Hard-x-ray C 1s photoemission from monolayer graphene probes a regime in which nuclear recoil and intrinsic electronic asymmetry contribute on comparable energy scales to the observed spectral line shape. Here we combine experiment and modeling over the photon-energy range 0.8 keV--8 keV to resolve this interplay quantitatively. A graphene-specific implementation of the Fujikawa--Takata cumulant formalism, based on an anisotropic vibrational density of states constrained by first-principles phonon calculations, captures the expected recoil scaling with photon energy and emission geometry but fails to reproduce the pronounced asymmetric tails of the measured spectra. To overcome this limitation, we introduce an explicit electronic convolution model in which an intrinsic, photon-energy-independent electronic line shape extracted from near-recoilless 0.8 keV data is convolved with a phonon recoil kernel carrying the full dependence on photon energy and emission angle. This approach reproduces both the measured line-shape evolution and the observed centroid shifts across the explored energy range without refitting the spectra at higher photon energies. The results show that recoil in graphene cannot be described by a baseline treatment in which the phonon recoil kernel is combined only with symmetric lifetime broadening, but must be treated together with the intrinsic many-body electronic response of the C 1s line.

cond-mat.mtrl-sci↗

arXiv2025

Evaluating covalency using RIXS spectral weights: Silver fluorides vs. cuprates

We investigate the electronic structure of AgF2, AgFBF4, AgF and Ag2O using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) at the Ag L3 edge. XAS results were compared with density functional theory computations of the spectra, allowing an identification of main features and an assessment of the theoretical approximations. Our RIXS measurements reveal that AgF2 exhibits charge transfer excitations and dd excitations, analogous to those observed in La2CuO4. We propose to use the ratio of dd to CT spectral weight as a measure of the covalence of the compounds and provide explicit equations for the weights as a function of the scattering geometry for crystals and powders. The measurements at the metal site L3 edge and previous measurements at the ligand K edge reveal a striking similarity between the fluorides and cuprates materials, with fluorides somewhat more covalent than cuprates. These findings support the hypothesis that silver fluorides are an excellent platform to mimic the physics of cuprates, providing a promising avenue for exploring high-Tc superconductivity and exotic magnetism in quasi-two-dimensional (AgF2) and quasi-one-dimensional (AgFBF4) materials.

cond-mat.str-el↗

arXiv2025

Spin-dependent anisotropic electron-phonon coupling in KTaO$_3$

KTaO$_3$ (KTO) is an incipient ferroelectric, characterized by a softening of the lowest transverse optical (TO) mode with decreasing temperature. Cooper pairing in the recently discovered KTO-based heterostructures has been proposed to be mediated by the soft TO mode. Here we study the electron coupling to the zone-center odd-parity modes of bulk KTO by means of relativistic Density Functional Perturbation Theory (DFPT). The coupling to the soft TO mode is by far the largest, with comparable contributions from both intraband and interband processes. Remarkably, we find that for this mode, spin-non-conserving matrix elements are particularly relevant. We develop a three-band microscopic model with spin-orbit coupled $t_{2g}$ orbitals that reproduces the main features of the ab initio results. For the highest energy band, the coupling can be understood as a "dynamical" isotropic Rashba effect. In contrast, for the two lowest bands, the Rashba-like coupling becomes strongly anisotropic. The DFPT protocol implemented here enables the calculation of the full electron-phonon coupling matrix projected onto any mode of interest, and it is easily applicable to other systems.

cond-mat.mtrl-sci↗

arXiv2025

Chemical capacitor: its concept, functionalities and limits

We use density functional theory calculations to study simple but diverse stoichiometries within the novel chemical capacitor (CC) setup. We look at main effects occurring in this device, extremes of the physicochemical properties, and we study limits of applicability of this nano-object. In the cases studied, CC permits achieving charge transfer of up to 1.74 e per atom. Tuning of the charge transfer may be achieved via judicious choice of chemical constituents of the CC as well as use of a ferroelectric material as a separator layer. Different classes of chemical systems may be doped, including metallic and nonmetallic elements, and chemical compounds, in certain cases leading to the appearance of superconductivity.

cond-mat.mtrl-sci↗

arXiv2025

The initial stages of silver fluorination: a scanning tunneling microscopy investigation

We use low-temperature scanning tunneling microscopy (LT-STM) to characterize the early stages of silver fluorination. On Ag(100), we observe only one adsorbate species, which shows a bias-dependent STM topography. Notably, at negative bias voltages, $V_{\rm B}<0$, the apparent shape can be described as a round protrusion surrounded by a moat-like depression (sombrero). As the voltage increases, the apparent shape changes, eventually evolving into a round depression. From the STM images, we determine the adsorption site to be the hollow position. On Ag(110) we find adsorbates with three distinct STM topographies. One type exhibits the same shape change with $V_{\rm B}$ as observed on Ag(100), that is, from a sombrero shape to a round depression as the voltage changes from negative to positive values; the other two types are observed as round depressions regardless of $V_{\rm B}$. From the STM images, we find the three adsorbates to be sitting on the short-bridge, hollow and top position on the Ag(110) surface, with a relative abundance of 60\%, 35\% and 5\%.

cond-mat.mtrl-sci↗

arXiv2024

How orbitals and oxidation states determine apparent topographies in scanning tunneling microscopy: the case of fluorine on silver surfaces

We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the most favorable for F adatoms. In the Ag(110) surface, three adsorption sites, namely hollow, long bridge, and short bridge, exhibit similar energies. These locations are also more favorable than an F adatom occupying a vacancy site irrespectively of whether the vacancy was present or not in the pristine surface. The computed energy as a function of surface coverage is used to compute the equilibrium thermodynamics phase diagram. We argue that for the typical pressure and temperature of fluorination experiments, the state of the surface is not determined by thermodynamics but by kinetics. Combining these results with scanning tunneling microscopy (STM) topographic simulations, we propose assignments to features observed experimentally. We present a minimal model of the apparent topography of adatoms in different locations in terms of hydrogenic orbitals, explaining the observed trends. The model links the STM apparent topography to structural information and the oxidation states of the Ag atoms near the adatom.

cond-mat.mtrl-sci↗

arXiv2024

Fragile-to-strong glass transition in two-dimensional vortex liquids

The fragile-to-strong glass transition is a fascinating phenomenon that still presents many theoretical and experimental challenges. A major one is how to tune the fragility of a glass-forming liquid. Here, we study a two-dimensional (2D) system composed of vortices in a superconducting film, which effectively behaves as a 2D glass-forming liquid. We show that the kinetic fragility in this system can be experimentally varied by tuning a single parameter: the external magnetic field $H$ applied transversely to the film. This conclusion is supported by the direct comparison between the analysis of experimental measurements in an amorphous MoGe superconducting film and Monte Carlo simulations in a disordered XY model, that captures the universality class of the two-step melting transition. We show that by increasing disorder strength a fragile-to-strong transition is induced, in close similarity with the experimental findings in a magnetic field. Our numerical results shed light on the evolution of the dynamical heterogeneity from a fragile to strong glass, as due to the subtle interplay between caging effects arising from hexatic order and strong random pinning.

cond-mat.supr-con↗

arXiv2022

Low temperature magnetism of KAgF3

KAgF$_3$ is a quasi one-dimensional quantum antiferromagnet hosting a series of intriguing structural and magnetic transitions. Here we use powder neutron diffraction, $μ$SR spectroscopy, and Density Functional Theory calculations to elucidate the low temperature magnetic phases. Below $T_{N1}=29$K we find that the material orders as an A-type antiferromagnet with an ordered moment of 0.47$μ_{\rm B}$. Both neutrons and muons provide evidence for an intermediate phase at temperatures $T_{N1}<T<T_{N2}$ with $T_{N2}\approx 66$ K from a previous magnetometry study. However, the evidence is at the limit of detection and its nature remains an open problem.

cond-mat.str-el↗

arXiv2022

Dynamical phases transitions in periodically driven Bardeen-Cooper-Schrieffer systems

We present a systematic study of the dynamical phase diagram of a periodically driven BCS system as a function of drive strength and frequency. Three different driving mechanism are considered and compared: oscillating density of states, oscillating pairing interaction and oscillating external paring field. We identify the locus in parameter space of parametric resonances and four dynamical phases: Rabi-Higgs, gapless, synchronized Higgs and time-crystal. We demonstrate that the main features of the phase diagram are quite robust to different driving protocols and discuss the order of the transitions. By mapping the BCS problem to a collection of nonlinear and interacting classical oscillators, we shed light on the origin of time-crsytalline phases and parametric resonances appearing for subgap excitations.

cond-mat.supr-con↗

arXiv2022

Engineering Higgs dynamics by spectral singularities

We generalize the dynamical phase diagram of a Bardeen-Cooper-Schrieffer condensate, considering attractive to repulsive, i.e., critical quenches (CQ) and a non-constant density of states (DOS). We show that different synchronized Higgs dynamical phases can be stabilized, associated with singularities in the density of states (DOS) and different quench protocols. In particular, the CQ can stabilize an overlooked high-frequency Higgs dynamical phase related to the upper edge of the fermionic band. For a compensated Dirac system we find a Dirac-Higgs mode associated with the cusp singularity at the Fermi level, and we show that synchronized phases become more pervasive across the phase diagram. The relevance of these remarkable phenomena and their realization in ensembles of fermionic cold atoms confined in optical lattices is also discussed.

cond-mat.quant-gas↗

arXiv2022

Strength of Correlations in a Silver Based Cuprate Analogue

AgF2 has been proposed as a cuprate analogue which requires strong correlation and marked covalence. On the other hand, fluorides are usually quite ionic and 4d transition metals tend to be less correlated than their 3d counterparts, which calls for further scrutiny. We combine valence band photoemission and Auger-Meitner spectroscopy of AgF and AgF2 together with computations in small clusters to estimate values of the Ag 4d Coulomb interaction U 4d and charge-transfer energy. Based on these values, AgF2 can be classified as a charge-transfer correlated insulator according to the Zaanen-Sawatzky-Allen classification scheme. Thus, we confirm that the material is a cuprate analogue from the point of view of correlations, suggesting that it should become a high-temperature superconductor if metallization is achieved by doping. We present also a computation of the Hubbard U in density functional "+U" methods and discuss its relation to the Hubbard U in spectroscopies.

cond-mat.str-el↗

arXiv2022

Charge Transfer and $dd$ excitations in AgF$_{2}$

Charge transfer (CT) insulators are the parent phase of a large group of today's unconventional high-temperature superconductors. Here we study experimentally and theoretically the interband excitations of the CT insulator silver fluoride AgF$_2$, which has been proposed as an excellent analogue of oxocuprates. Optical conductivity and resonant inelastic X-ray scattering (RIXS) on AgF$_2$ polycrystalline sample show a close similarity with that measured on undoped La$_2$CuO$_4$. While the former shows a CT gap $\sim$3.4 eV, larger than in the cuprate, $dd$ excitations are nearly at the same energy in the two materials. DFT and exact diagonalization cluster computations of the multiplet spectra show that AgF$_2$ is more covalent than the cuprate, in spite of the larger fundamental gap. Furthermore, we show that AgF$_2$ is at the verge of a charge transfer instability. The overall resemblance of our data on AgF$_2$ to those published previously on La$_2$CuO$_4$ suggests that the underlying CT insulator physics is the same, while AgF$_2$ could also benefit from a proximity to a charge density wave phase as in BaBiO$_3$. Therefore, our work provides a compelling support to the future use of fluoroargentates for materials' engineering of novel high-temperature superconductors.

cond-mat.supr-con↗

arXiv2022

Charge doping to flat AgF2 monolayers in a chemical capacitor setup

Flat monolayers of silver II fluoride, which could be obtained by epitaxial deposition on an appropriate substrate, have been recently predicted to exhibit very strong antiferromagnetic superexchange and to have large potential for ambient pressure superconductivity if doped to an optimal level. It was shown that AgF2 could become a magnetic glue based superconductor with a critical superconducting temperature approaching 200 K at optimum doping. In the current work we calculate the optimum doping to correspond to 14% of holes per formula unit, i.e. quite similar to that for oxocuprates II. Furthermore, using DFT calculations we show that flat AgF2 single layers can indeed be doped to a controlled extent using a recently proposed chemical capacitor setup. Hole doping associated with formation of Ag III proves to be difficult to achieve in the setup explored in this work as it falls at verge of charge stability of fluoride anions and does not affect the d x2 minus y2 manifold . However, in the case of electron doping, manipulation of different factors, such as number of dopant layers and the thickness of the separator, permits fine tuning of the doping level - and concomitantly TC - all the way from underdoped to overdoped regime (in a similar manner as chemical doping for the Nd2CuO4 analogue).

cond-mat.supr-con↗

arXiv2021

Transport signatures of fragile-glass dynamics in the melting of the two-dimensional vortex lattice

In two-dimensional (2D) systems, the melting from a solid to an isotropic liquid can occur via an intermediate phase that retains orientational order. However, in 2D superconducting vortex lattices, the effect of orientational correlations on transport, and their interplay with disorder remain open questions. Here we study a 2D weakly pinned vortex system in amorphous MoGe films over an extensive range of temperatures ($\bm{T}$) and perpendicular magnetic fields ($\bm{H}$) using linear and nonlinear transport measurements. We find that, at low fields, the resistivity obeys the Vogel-Fulcher-Tamman (VFT) form, $\bm{ρ(T)\propto\exp[-{W}(H)/(T-T_0(H))]}$, characteristic of fragile glasses. As $\bm{H}$ increases, $\bm{T_0(H)}$ is suppressed to zero, and a standard vortex liquid behavior consistent with a $\bm{T=0}$ superconducting transition is observed. Our findings, supported also by simulations, suggest that the presence of orientational correlations gives rise to a heterogeneous dynamics responsible for the VFT behavior. The effects of quenched disorder become dominant at high $\bm{H}$, where a crossover to a strong-glass behavior is observed. This is a new insight into the dynamics of melting in 2D systems with competing orders.

cond-mat.supr-con↗

arXiv2021

Emergent parametric resonances and time-crystal phases in driven BCS systems

We study the out-of-equilibrium dynamics of a Bardeen-Cooper-Schrieffer condensate subject to a periodic drive. We demonstrate that the combined effect of drive and interactions results in emerging parametric resonances, analogous to a vertically driving pendulum. In particular, Arnold tongues appear when the driving frequency matches $2Δ_0/n$, with $n$ a natural number, and $Δ_0$ the equilibrium gap parameter. Inside the Arnold tongues we find a commensurate time-crystal condensate which retains the $U(1)$ symmetry breaking of the parent superfluid/superconducting phase and shows an additional time-translational symmetry breaking. Outside these tongues, the synchronized collective Higgs mode found in quench protocols is stabilized without the need of a strong perturbation. Our results are directly relevant to cold-atom and condensed-matter systems and do not require very long energy relaxation times to be observed.

cond-mat.supr-con↗

arXiv2021

Discovery of the soft electronic modes of the trimeron order in magnetite

The Verwey transition in magnetite (Fe$_3$O$_4$) is the first metal-insulator transition ever observed and involves a concomitant structural rearrangement and charge-orbital ordering. Due to the complex interplay of these intertwined degrees of freedom, a complete characterization of the low-temperature phase of magnetite and the mechanism driving the transition have long remained elusive. It was demonstrated in recent years that the fundamental building blocks of the charge-ordered structure are three-site small polarons called trimerons. However, electronic collective modes of this trimeron order have not been detected to date, and thus an understanding of the dynamics of the Verwey transition from an electronic point of view is still lacking. Here, we discover spectroscopic signatures of the low-energy electronic excitations of the trimeron network using terahertz light. By driving these modes coherently with an ultrashort laser pulse, we reveal their critical softening and hence demonstrate their direct involvement in the Verwey transition. These findings represent the first observation of soft modes in magnetite and shed new light on the cooperative mechanism at the origin of its exotic ground state.

cond-mat.str-el↗

arXiv2019

Spectral fingerprints of the non-linear dynamics of driven superconductors with dissipation

We study the out-of-equilibrium dynamics of a BCS superconductor in the presence of a periodic drive with a frequency $ω_d$ larger than the equilibrium superconducting gap and an external bath providing dissipation. Similar to the dissipationless case, a subset of quasiparticles, resonant with the drive, synchronizes and produces interesting non-linear phenomena. For small dissipation Rabi-Higgs oscillations [Collado et al. Phys. Rev. B 98, 214519 (2018)] can be observed as a transient effect. At long-times in contrast, dissipation leads to a steady state with a population imbalance that increases quadratically for small drives and saturates for large drives as in non-linear quantum optics. We show also that second harmonic generation is allowed for a drive which acts on the BCS coupling constant. We also compute the intensity of time- and angle-resolved photo-emission spectroscopy (tr-ARPES) and time-resolved tunneling spectra. The excited quasiparticle population appears as a decrease (increase) in the photo-emission intensity at energy $-ω_d/2$ ($+ω_d/2$) measured from the chemical potential. The tunneling intensity shows a time-dependent depression at $\pmω_d/2$ due to the lacking of spectral density and population unbalance causing Pauli blockade. We predict that at short times, compared to the energy relaxation time, both experiments will show oscillations with the Rabi-Higgs frequency.

cond-mat.supr-con↗