arXiv subjects

Marco Moretti Sala

Publications and source records attributed to Marco Moretti Sala.

At least 19 recordsLinked to original sources

arXiv2026

Machine-learning test of the single-ion model for $dd$ excitations in cuprates

We investigate $dd$ excitations in Resonant Inelastic X-ray Scattering spectra of YBa$_2$Cu$_3$O$_6$ and La$_2$CuO$_4$ using the local single-ion model. The data are analyzed by conventional global fitting and by a convolutional neural network trained within the same theoretical framework. For YBa$_2$Cu$_3$O$_6$, the excited state energies obtained with the two methods coincide, leading to the $xy$, $3z^2-r^2$, $xz/yz$ sequence for increasing energy. This result validates the use of machine learning tools for the analysis of RIXS spectra dominated by $dd$ excitations. By contrast, for La$_2$CuO$_4$, the two methods do not converge to a single solution, revealing the limitations of the single-ion model in describing $dd$ excitations in cuprates and pointing to the role of additional contributions beyond a purely local picture in shaping high-energy excitations.

cond-mat.str-el↗

arXiv2026

Unveiling the Interplay of Charge and Magnetic Excitations in HgBa$_2$Ca$_2$Cu$_3$O$_{8+δ}$

Unraveling the mechanism that binds electrons into Cooper pairs in cuprate high-temperature superconductors remains one of the most fundamental challenges in condensed-matter physics. While both magnetic interactions and lattice vibrations are known to govern key electronic properties, their possible cooperation has never been directly observed. We investigate HgBa$_2$Ca$_2$Cu$_3$O$_{8+δ}$ (Hg1223) - the cuprate with the highest $T_{\mathrm{c}}$ at ambient pressure - as a magnifying glass to probe the possible entwining of the excitations at the core of the pairing. Using resonant inelastic X-ray scattering, we find that the charge response is dominated by dynamic charge density fluctuations (CDF) extending up to several hundred meV, where magnetic excitations reside. At the same momentum where CDF are most intense, the paramagnon energy exhibits a pronounced softening, revealing a strong interplay among charge, lattice, and spin excitations. Our results point to a cooperative mechanism in which dynamic charge fluctuations mediate the coupling between lattice, charge and spin degrees of freedom-shedding new light on the fundamental origin of high-$T_{\mathrm{c}}$ superconductivity.

cond-mat.supr-con↗

arXiv2026

Electron-phonon coupling revealed by charge density fluctuations in cuprate superconductors

Electron-phonon coupling (EPC) governs lattice dynamics, charge transport, and collective electronic phases in quantum materials. In several families of unconventional superconductors, including transition-metal dichalcogenides and kagome metals, growing evidence points to a cooperative role of EPC and dynamic charge-density fluctuations (CDF) in stabilizing superconductivity. However, how the EPC strength evolves across phase diagrams and relates to superconducting properties in strongly correlated systems remains an open question. Here we investigate the interplay between phonons and the CDF recently identified in cuprate superconductors. Using resonant inelastic x-ray scattering, we track the dispersion and intensity of bond-stretching phonons in YBa$_2$Cu$_3$O$_{7-δ}$ over wide ranges of doping, temperature, and momentum. We find that both the phonon softening at the CDF wave vector and the EPC strength, extracted from a pronounced phonon intensity anomaly, are maximized near $p = 0.19$, where superconducting properties are optimal and CDF intensity is strongest. These results identify dynamic charge-density fluctuations, rather than quasi-static charge density waves, as the dominant source of phonon renormalization in cuprates, and establish a direct correlation between EPC strength and the superconducting dome. More broadly, our measurements highlight EPC as a doping-dependent property of correlated materials, shaped by the electronic environment in which lattice vibrations are embedded.

cond-mat.supr-con↗

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

The influence of phonon symmetry and electronic structure on the electron-phonon coupling momentum dependence in cuprates

The experimental determination of the magnitude and momentum dependence of electron-phonon coupling (EPC) is an outstanding problem in condensed matter physics. The intensity of phonon peaks in Resonant Inelastic X-ray Scattering (RIXS) spectra can be related to the underlying EPC strength under significant approximations whose validity deserves careful verification. We measured the Cu L$_3$ RIXS phonon intensity as function of incident photon energy and of momentum transfer in several layered cuprates. For CaCuO$_2$, La$_{2-x}$Sr$_{x}$CuO$_{4+δ}$, and \ch{YBa_2Cu_3O_{6}}, using a generally accepted theoretical model, we estimate quantitatively the EPC for the bond-stretching mode along the high-symmetry directions ($ζ$,0) and ($ζ$,$ζ$), and as a function of the azimuthal angle $φ$ at fixed $q_\parallel$. We compare our results with theoretical predictions and we find that the $\mathbf{q}_\parallel$-dependence of the phonon RIXS intensity can be largely ascribed to the phonon symmetry. However, a more satisfactory prediction of the experimental results requires an accurate description of the electronic structure close to the Fermi level. Our extensive investigation indicates that Cu L$_3$ RIXS can be reliably used to determine the momentum dependence of EPC for the bond-stretching modes of cuprates. Moreover, the large experimental basis provided in this article can serve as stringent test for advanced theoretical predictions on the EPC.

cond-mat.str-el↗

arXiv2025

X-raying Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O: disentangling elemental contributions in a prototypical high-entropy oxide

We employ several X-ray based techniques, including X-ray diffraction, absorption and resonant inelastic scattering, to disentangle the contributions of individual chemical species to the structural, electronic and magnetic properties of high-entropy oxides. In the benchmark compound Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O and related systems, we unambiguously resolve a sizable Jahn-Teller distortion at the Cu sites, more pronounced in the absence of Ni2+ and Mg2+, suggesting that these ions promote positional order, whereas Cu2+ ions act to destabilize it. Moreover, we detect magnetic excitations and estimate the strength of the interactions between pairs of different magnetic elements. Our results provide valuable insights into the role of the various chemical species in shaping the physical properties of high-entropy oxides.

cond-mat.mtrl-sci↗

arXiv2025

Photo-generated charge-transfer excitons in NiO revealed by ultrafast time-resolved resonant inelastic x-ray scattering

Strong electronic correlation can lead to insulating behavior and to the opening of large optical gaps, even in materials with partly filled valence shells. Although the non-equilibrium optical response encodes both local (quasi atomic) and collective (long range) responses, optical spectroscopy is usually more sensitive to the latter. Resonant x-ray techniques are better suited to investigate the quasi-atomic properties of correlated solids. Using time-resolved resonant inelastic x-ray scattering (RIXS), here we study the ultrafast non-equilibrium processes in NiO following photo-excitation by ultraviolet photons with energy exceeding the optical gap. We observe the creation of charge-transfer excitons that decay with a time constant of about 2\,ps, while itinerant photo-doping persists for tens of picoseconds. Following our discovery, which establishes time-resolved high-resolution RIXS as a powerful tool for the study of transient phenomena in condensed matter, the possible presence of charge-transfer excitons will need to be considered when interpreting optical pump-probe experiments on correlated quantum materials.

cond-mat.str-el↗

arXiv2024

Spin excitations in Nd1-xSrxNiO2 and YBa2Cu3O7-delta: the influence of Hubbard U

We use Resonant Inelastic X-ray Scattering (RIXS) to compare the doping dependence of magnetic excitations of an Infinite-Layer nickelate to those of a prototypical superconducting cuprate. The polarization analysis of RIXS spectra establishes the dominant spin-flip nature of the mid-infrared peak in both cases. Hole doping leads to opposite behavior of the magnetic energy in the two materials. By fitting the data with an original Hubbard-based model for dynamic susceptibility, we find that t is comparable in the two materials while U is about twice larger in the nickelate. This finding accounts for the smaller magnetic bandwidth of nickelates and for its decrease upon doping.

cond-mat.str-el↗

arXiv2024

Charge response function probed by resonant inelastic x-ray scattering: the signature of electronic gaps of YBa$_2$Cu$_3$O$_{7-δ}$

In strongly correlated systems the complete determination of the dynamical susceptibility $χ(\textbf{q}, ω)$ is of special relevance because of the entwinement of the spin and charge components. Although Resonant Inelastic X-Ray Scattering (RIXS) spectra are directly related to both the charge ($χ''_c(\textbf{q}, ω)$) and the spin ($χ''_s(\textbf{q}, ω)$) contributions, only the latter has been extensively studied with RIXS so far. Here we show how to extract from RIXS spectra of high-$T_c$ superconducting cuprates relevant properties of $χ''_c$, such as the presence of the superconducting gap and of the pseudogap. In particular, we exploit the temperature dependence of the Cu L$_3$ edge RIXS spectra of underdoped YBa$_2$Cu$_3$O$_{7-δ}$ at specific wave-vectors q. The signature of the two gaps is in the departure of the low energy Bosonic excitation continuum from the statistical temperature-dependence. This approach can be immediately used to investigate systematically the nature of the pseudogap in cuprates, thereby taking advantage of the RIXS technique that does not suffer the limitations of surface-sensitive electron spectroscopies. Its extension to other interesting materials is foreseen.

cond-mat.supr-con↗

arXiv2024

Collective nature of orbital excitations in layered cuprates in the absence of apical oxygens

We have investigated the 3d orbital excitations in CaCuO2 (CCO), Nd2CuO4 (NCO), and La2CuO4 (LCO) using high-resolution resonant inelastic x-ray scattering. In LCO they behave as well-localized excitations, similarly to several other cuprates. On the contrary, in CCO and NCO the dxy orbital clearly disperse, pointing to a collective character of this excitation (orbiton) in compounds without apical oxygen. We ascribe the origin of the dispersion as stemming from a substantial next-nearest-neighbor (NNN) orbital superexchange. Such an exchange leads to the liberation of orbiton from its coupling to magnons, which is associated with the orbiton hopping between nearest neighbor copper sites. We show that the exceptionally large NNN orbital superexchange can be traced back to the absence of apical oxygens suppressing the charge transfer energy.

cond-mat.str-el↗

arXiv2023

Absence of localized $5d^1$ electrons in KTaO$_3$ interface superconductors

Recently, an exciting discovery of orientation-dependent superconductivity was made in two-dimensional electron gas (2DEG) at the interfaces of LaAlO$_3$/KTaO$_3$ (LAO/KTO) or EuO/KTaO$_3$ (EuO/KTO). The superconducting transition temperature can reach a $T_c$ of up to $\sim$ 2.2 K, which is significantly higher than its 3$d$ counterpart LaAlO$_3$/SrTiO$_3$ (LAO/STO) with a $T_c$ of $\sim$ 0.2 K. However, the underlying origin remains to be understood. To uncover the nature of electrons in KTO-based interfaces, we employ x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray spectroscopy (RIXS) to study LAO/KTO and EuO/KTO with different orientations. We reveal the absence of $dd$ orbital excitations in all the measured samples. Our RIXS results are well reproduced by calculations that considered itinerant $5d$ electrons hybridized with O $2p$ electrons. This suggests that there is a lack of localized Ta $5d^1$ electrons in KTO interface superconductors, which is consistent with the absence of magnetic hysteresis observed in magneto-resistance (MR) measurements. These findings offer new insights into our understanding of superconductivity in Ta $5d$ interface superconductors and their potential applications.

cond-mat.supr-con↗

arXiv2021

Doping-dependence of the electron-phonon coupling in two families of bilayer superconducting cuprates

While electron-phonon coupling (EPC) is crucial for Cooper pairing in conventional superconductors, its role in high-$T_c$ superconducting cuprates is debated. Using resonant inelastic x-ray scattering at the oxygen $K$-edge, we studied the EPC in Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212) and Nd$_{1+x}$Ba$_{2-x}$Cu$_3$O$_{7-δ}$ (NBCO) at different doping levels ranging from heavily underdoped ($p =0.07$) to overdoped ($p=0.21$). We analyze the data with a localized Lang-Firsov model that allows for the coherent excitations of two phonon modes. While electronic band dispersion effects are non-negligible, we are able to perform a study of the relative values of EPC matrix elements in these cuprate families. In the case of NBCO, the choice of the excitation energy allows us to disentangle modes related to the CuO$_3$ chains and the CuO$_2$ planes. Combining the results from the two families, we find the EPC strength decreases with doping at $\mathbf{q_\parallel}=(-0.25, 0)$ r.l.u., but has a non-monotonic trend as a function of doping at smaller momenta. This behavior is attributed to the screening effect of charge carriers. We also find that the phonon intensity is enhanced in the vicinity of the charge-density-wave (CDW) excitations while the extracted EPC strength appears to be less sensitive to their proximity. By performing a comparative study of two cuprate families, we are able to identify general trends in the EPC for the cuprates and provide experimental input to theories invoking a synergistic role for this interaction in $d$-wave pairing.

cond-mat.supr-con↗

arXiv2021

Fractional spin excitations in the infinite-layer cuprate CaCuO$_2$

We use resonant inelastic x-ray scattering (RIXS) to investigate the magnetic dynamics of the infinite-layer cuprate CaCuO2. We find that close to the (1/2,0) point the single magnon decays into a broad continuum of excitations accounting for 80% of the total magnetic spectral weight. Polarization resolved RIXS spectra reveal the overwhelming dominance of spin-flip ($ΔS = 1$) characterof this continuum with respect to the $ΔS= 0$ multimagnon contributions. Moreover, its incident energy dependence is identical to that of the magnon, supporting a common physical origin. We propose that the continuum originates from the decay of the magnon into spinon pairs, and we relate it to the exceptionally high ring exchange $J_\mathrm{c} \sim J_1$ of CaCuO2. In the infinite layer cuprates long-range and multi-site hopping integrals are pivotal and amplify the 2D quantum magnetism effects in spite the 3D antiferromagnetic Néel order.

cond-mat.str-el↗

arXiv2020

Magnetically induced metal-insulator transition in Pb2CaOsO6

We report on the structural, magnetic, and electronic properties of two new double-perovskites synthesized under high pressure; Pb2CaOsO6 and Pb2ZnOsO6. Upon cooling below 80 K, Pb2CaOsO6 simultaneously undergoes a metal--insulator transition and develops antiferromagnetic order. Pb2ZnOsO6, on the other hand, remains a paramagnetic metal down to 2 K. The key difference between the two compounds lies in their crystal structure. The Os atoms in Pb2ZnOsO6 are arranged on an approximately face-centred cubic lattice with strong antiferromagnetic nearest-neighbor exchange couplings. The geometrical frustration inherent to this lattice prevents magnetic order from forming down to the lowest temperatures. In contrast, the unit cell of Pb2CaOsO6 is heavily distorted up to at least 500 K, including antiferroelectric-like displacements of the Pb and O atoms despite metallic conductivity above 80 K. This distortion relieves the magnetic frustration, facilitating magnetic order which in turn drives the metal--insulator transition. Our results suggest that the phase transition in Pb2CaOsO6 is spin-driven, and could be a rare example of a Slater transition.

cond-mat.str-el↗

arXiv2020

A $j_\mathrm{eff} = 1/2$ pseudospinon continuum in CaIrO$_3$

In so-called $j_\mathrm{eff} = 1/2$ systems, including some iridates and ruthenates, the coherent superposition of $t_\mathrm{2g}$ orbitals in the ground state gives rise to hopping processes that strongly depend on the bond geometry. Resonant inelastic x-ray scattering (RIXS) measurements on CaIrO$_3$ reveal a prototypical $j_\mathrm{eff} = 1/2$ pseudospinon continuum, a hallmark of one-dimensional (1D) magnetic systems despite its three-dimensional crystal structure. The experimental spectra compare very well to the calculated magnetic dynamical structure factor of weakly coupled spin-1/2 chains. We attribute the onset of such quasi-1D magnetism to the fundamental difference in the magnetic interactions between the $j_\mathrm{eff} = 1/2$ pseudospins along the corner- and edge-sharing bonds in CaIrO$_3$.

cond-mat.str-el↗

arXiv2020

Mobile orbitons in Ca$_2$CuO$_3$: crucial role of the Hund's exchange

We investigate the Cu $L_3$ edge resonant inelastic x-ray scattering (RIXS) spectra of a quasi-1D antiferromagnet Ca$_2$CuO$_3$. In addition to the magnetic excitations, which are well-described by the two-spinon continuum, we observe two dispersive orbital excitations, the $3d_{xy}$ and the $3d_{yz}$ orbitons. We carry out a quantitative comparison of the RIXS spectra, obtained with two distinct incident polarizations, with a theoretical model. We show that any realistic spin-orbital model needs to include a finite, but realistic, Hund's exchange $J_H \approx 0.5$ eV. Its main effect is an increase in orbiton velocities, so that their theoretically calculated values match those observed experimentally. Even though Hund's exchange also mediates some interaction between spinon and orbiton, the picture of spin-orbit separation remains intact and describes orbiton motion in this compound.

cond-mat.str-el↗

arXiv2020

Crystalline and magnetic structure of Ba2CuO3+δ investigated by x-ray absorption spectroscopy and resonant inelastic x-ray scattering

Motivated by the recent synthesis of Ba$_2$CuO$_{3+δ}$ (BCO), a high temperature superconducting cuprate with putative $d_{3z^2-r^2}$ ground state symmetry, we investigated its electronic structure by means of Cu $L_3$ x-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) at the Cu $L_3$ edge on a polycrystalline sample. We show that the XAS profile of BCO is characterised by two peaks associated to inequivalent Cu sites, and that its RIXS response features a single, sharp peak associated to crystal-field excitations. We argue that these observations are only partially compatible with the previously proposed crystal structure of BCO. Based on our spectroscopic results and on previously published powder diffraction measurements, we propose a crystalline structure characterized by two inequivalent Cu sites located at alternated planes along the $c$ axis: nominally trivalent Cu(1) belonging to very short Cu-O chains, and divalent Cu(2) in the oxygen deficient CuO$_ {1.5}$ planes. We also analyze the low-energy region of the RIXS spectra to estimate the magnitude of the magnetic interactions in BCO and find that in-plane nearest neighbor superexchange exceeds 120~meV, similarly to that of other layered cuprates. Although these results do not support the pure $d_{3z^2-r^2}$ ground state scenario, they hint at a significant departure from the common quasi-2D electronic structure of superconducting cuprates of pure $d_{x^2-y^2}$ symmetry.

cond-mat.mtrl-sci↗

arXiv2020

Determining the Electron-Phonon Coupling in Superconducting Cuprates by Resonant Inelastic X-ray Scattering: Methods and Results on Nd$_{1+x}$Ba$_{2-x}$Cu$_3$O$_{7-δ}$

The coupling between lattice vibration quanta and valence electrons can induce charge density modulations and decisively influence the transport properties of materials, e.g. leading to conventional superconductivity. In high critical temperature superconductors, where electronic correlation is the main actor, the actual role of electron-phonon coupling (EPC) is being intensely debated theoretically and investigated experimentally. We present an in-depth study of how the EPC strength can be obtained directly from resonant inelastic x-ray scattering (RIXS) data through the theoretical approach derived by Ament et al. [EPL 95, 27008 (2011)]. The role of the model parameters (e.g. phonon energy $ω_0$, intermediate state lifetime $1/Γ$, EPC matrix element $M$, and detuning energy $Ω$) is thoroughly analyzed, providing general relations among them that can be used to make quantitative estimates of the dimensionless EPC $g = (M/ω_0)^2$ without detailed microscopic modeling. We then apply these methods to very high resolution Cu $L_3$ edge RIXS spectra of three Nd$_{1+x}$Ba$_{2-x}$Cu$_3$O$_{7-δ}$ films. For the insulating antiferromagnetic parent compound the value of $M$ as a function of the in-plane momentum transfer is obtained for Cu-O bond-stretching (breathing) and bond-bending (buckling) phonon branches. For the underdoped and the nearly optimally doped samples, the effects of Coulomb screening and of charge-density-wave correlations on $M$ are assessed. In light of the anticipated further improvements of the RIXS experimental resolution, this work provides a solid framework for an exhaustive investigation of the EPC in cuprates and other quantum materials.

cond-mat.supr-con↗