arXiv subjects

Daniele Di Castro

Publications and source records attributed to Daniele Di Castro.

11 recordsLinked to original sources

arXiv2026

Spin and orbital excitations in undoped infinite layers: a comparison between superconducting PrNiO2 and insulating CaCuO2

Infinite-layer nickelates are among the most promising cuprate-akin superconductors, although relevant differences from copper oxides have been reported. Here, we present momentum- and polarization-resolved RIXS measurements on chemically undoped, superconducting PrNiO2, and compare its magnetic and orbital excitations with those of the reference infinite layer cuprate CaCuO2. In PrNiO2, the in-plane magnetic exchange integrals are smaller than in CaCuO2, whereas the out-of-plane values are similar, indicating that both materials support a three-dimensional antiferromagnetic order. Orbital excitations, associated to the transitions within 3d states of the metal, are well reproduced within a single-ion model and display similar characteristics, except for the Ni-dxy peak which, besides lying at significantly lower energy, shows an opposite dispersion to that of Cu-dxy. This is interpreted as a consequence of orbital superexchange coupling between nearest neighbor sites, which drives the orbiton propagation. Our observations demonstrate that infinite layer cuprates and nickelates share most of the spin and orbital properties, despite their markedly different charge-transfer energy Delta.

cond-mat.supr-con↗

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↗

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↗

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↗

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↗

arXiv2021

Multiple-magnon excitations shape the spin spectrum of cuprate parent compounds

Thanks to high resolution and polarization analysis, resonant inelastic x-ray scattering (RIXS) magnetic spectra of La2CuO4, Sr2CuO2Cl2 and CaCuO2 reveal a rich set of properties of the spin 1/2 antiferromagnetic square lattice of cuprates. The leading single-magnon peak energy dispersion is in excellent agreement with the corresponding inelastic neutron scattering measurements. However, the RIXS data unveil an asymmetric lineshape possibly due to odd higher order terms. Moreover, a sharp bimagnon feature emerges from the continuum at (1/2,0), coincident in energy with the bimagnon peak detected in optical spectroscopy. These findings show that the inherently complex spin spectra of cuprates, an exquisite manifestation of quantum magnetism, can be effectively explored by exploiting the richness of RIXS cross sections.

cond-mat.supr-con↗

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

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↗

arXiv2018

Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic ferromagnet interface through standing-wave excitation

We demonstrate that combining standing-wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La$_{1.85}$Sr$_{0.15}$CuO$_{4}$(LSCO) and a half-metallic ferromagnet La$_{0.67}$Sr$_{0.33}$MnO$_{3}$ (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. The magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects.

cond-mat.mtrl-sci↗

arXiv2013

Interface reconstruction in superconducting CaCuO2/SrTiO3 superlattices: A hard x-ray photoelectron spectroscopy study

Here we report about the interface reconstruction in the recently discovered superconducting artificial superlattices based on insulating CaCuO2 and SrTiO3 blocks. Hard x-ray photoelectron spectroscopy shows that the valence bands alignment prevents any electronic reconstruction by direct charge transfer between the two blocks. We demonstrate that the electrostatic built-in potential is suppressed by oxygen redistribution in the alkaline earth interface planes. By using highly oxidizing growth conditions, the oxygen coordination in the reconstructed interfaces may be increased, resulting in the hole doping of the cuprate block and thus in the appearance of superconductivity.

cond-mat.str-el↗

arXiv2011

High pressure phases of crystalline tellurium

A study of high pressure solid Te was carried out at room temperature using Raman spectroscopy and Density Functional Theory (DFT) calculations. The analysis of the P-dependence of the experi- mental phonon spectrum reveals the occurrence of phase transitions at 4 GPa and 8 GPa confirming the high-pressure scenario recently proposed. The effects of the incommensurate lattice modulation on the vibrational properties of Te is discussed. DFT calculations agree with present and previous experimental data and show the metallization process at 4 GPa being due to the development of charge-bridges between atoms belonging to adjacent chains. A first-principles study of the stability of the 4 GPa phase is reported and discussed also in the light of the insurgence of lattice modulation.

cond-mat.mtrl-sci↗