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Matteo Gatti

Publications and source records attributed to Matteo Gatti.

At least 19 recordsLinked to original sources

Fingerprints of Excitonic Collective Modes in the Two-Dimensional Electron Gas

The two-dimensional homogeneous electron gas (2D HEG) is a prototype system of fundamental interest that can be realized experimentally over a wide range of densities. Here, we investigate its collective charge excitations at low densities, using time-dependent density functional theory. We demonstrate that, beyond traditional plasmons, new collective excitonic modes emerge for a Wigner-Seitz radius larger than $r_{\mathrm s} \approx 1$. These excitonic modes leave characteristic fingerprints in experimentally accessible quantities, namely, asymmetric peak structures in the loss function and very strong Friedel-like oscillations in the static linear density response that increase when the system approaches a regime of instability. Indeed, at low enough densities the collective modes cross the zero energy axis, indicating an instability of the paramagnetic 2D HEG towards the formation of a charge-density-wave phase with excitonic origin. These findings provide valuable insights for the experimental detection of excitonic collective modes in tunable 2D electron systems and contribute to the fundamental understanding of many-body effects in low-density electron gases.

cond-mat.mes-hall

Signature of Short-Range Order in Static Response of the Three-Dimensional Electron Gas

The three-dimensional electron gas is a fundamental model in condensed matter physics and quantum chemistry, and the exchange-correlation energy derived from it serves as the starting point of \textit{ab initio} computations of materials. However, the wave-vector-dependent response, and hence the static local field factor $G(q)$, has remained without accurate ground-state benchmark in the strongly coupled regime for three decades. Using diffusion Monte Carlo, we calculate $G(q)$ and the static density-density response function across the liquid phase and find a pronounced structure in $G(q)$ at intermediate wave vectors, already visible at metallic densities and growing with increasing interaction strength. We identify it as a fingerprint of short-range order by showing that it is required to reproduce the static structure factor. Our parametrization, valid in the entire liquid phase, predicts a low-energy resonant mode inside the particle-hole continuum.

physics.comp-ph

Designing explicit functionals for the charge density in terms of a potential

One of the most powerful strategies to address properties of real many-body systems is to incorporate data obtained for models, for example, to use data of the homogeneous electron gas in order to build the Local Density Approximation for the Kohn-Sham exchange-correlation potential. In the present work, we examine to what extent we can use model data to design functionals directly for observables of materials. In particular, we study different approximations for the charge density of real inhomogeneous materials expressed as a simple, explicit functional of a given Kohn-Sham potential, using as central building block the Lindhard density-density response function of the homogeneous electron gas. Our increasingly realistic set of approximations includes a fully nearsighted expression equivalent to the Thomas-Fermi approximation, functional Taylor expansions, and different approximations to the Connector Theory developed in [Aouina \textit{et al.}, npj Computational Materials {\bf 11}, 242 (2025)]. In all cases, the charge density is obtained without ever solving the Kohn-Sham Schr\"odinger equation. Results for cubic helium, a prototypical strongly inhomogeneous material, as well as the covalent semiconductor silicon and metallic aluminum, systematically improve with higher levels of approximation. At the present stage, the results may be used for qualitative discussions or as optimized starting point for a self-consistent Kohn-Sham cycle. More generally, their quality indicates that this is a promising route to obtain functional expressions for observables that are relatively simple to calculate and to analyze.

cond-mat.mtrl-sci

Direct measurement of the longitudinal exciton dispersion in hBN by resonant inelastic x-ray scattering

We report resonant inelastic X-ray scattering (RIXS) measurements on the prototypical hexagonal boron nitride hBN layered compound. The RIXS results at the B and N K edges have been combined with electron energy loss spectroscopy (EELS) experiments and ab initio calculations within the framework of the Bethe-Salpeter equation of many-body perturbation theory. By means of this tight interplay of different spectroscopies, the lowest longitudinal exciton of hBN has been identified. Moreover, its qualitatively different dispersions along the $\Gamma$K and the $\Gamma$M directions of the Brillouin zone have been determined. Our study advocates soft X-ray RIXS and EELS to be a promising combination to investigate electronic excitations in materials.

cond-mat.mtrl-sci

K-edge XANES of octahedral aluminum compounds: similarities and differences via the analysis of excitonic properties

This study presents an \textit{ab initio} investigation of the XANES spectra at the aluminum K edge for three compounds: Al$_2$O$_3$, AlF$_3$ and AlCl$_3$, where the Al atoms share the same oxidation state~(III) and are coordinated in an octahedral symmetry. The XANES spectra calculated within the independent-particle approximation reveal significant differences, including shifts in the spectrum onset, variations in the spectral shapes, and the presence of a pre-peak in the case of AlCl$_3$, all in correspondence with the behavior of the PDOS of the absorbing atom in the different materials. The origin of the features stems from the specific band structure of each compound. When electron--hole interactions are taken into account through the solution of the Bethe-Salpeter equation, a series of dark and bright excitons with large binding energies and Frenkel character is obtained. The strong excitonic effects lead to the suppression of the pre-peak in AlCl$_3$ and further accentuate the differences among the three Al K-edge spectra.

cond-mat.mtrl-sci

Creating a Segmented Pointcloud of Grapevines by Combining Multiple Viewpoints Through Visual Odometry

Grapevine winter pruning is a labor-intensive and repetitive process that significantly influences the quality and quantity of the grape harvest and produced wine of the following season. It requires a careful and expert detection of the point to be cut. Because of its complexity, repetitive nature and time constraint, the task requires skilled labor that needs to be trained. This extended abstract presents the computer vision pipeline employed in project Vinum, using detectron2 as a segmentation network and keypoint visual odometry to merge different observation into a single pointcloud used to make informed pruning decisions.

cs.CV

Connections between resonant inelastic x-ray scattering and complementary x-ray spectroscopies: probing excitons at Al K and L$_1$ edges of $\alpha$-Al$_2$O$_3$

We present an ab initio study of neutral core and valence electronic excitations in {\alpha}-Al2O3 by solving the Bethe-Salpeter equation (BSE) of many-body perturbation theory within an all-electron framework. Calculated spectra at the Al K and L1 edges are in remarkable agreement with available experiments from X-ray absorption (XAS) and X-ray Raman spectroscopy once excitonic effects are taken into account. The combination of the BSE spectra for the two techniques confirms the dipole-forbidden nature of the exciton prepeak as suggested by recent calculations based on density-functional theory. Moreover, we make predictions for resonant inelastic X-ray scattering (RIXS) spectra at K and L1 edges, which strikingly fully overlap also beyond an independent-particle picture. The RIXS calculations reveal two distinct regimes as a function of incoming photon energy. Below and at the XAS threshold, we observe Raman-like features, characterised by strong excitonic effects, which we directly compare to peaks in the loss function. Above the XAS threshold, instead, fluorescence features become predominant: RIXS spectra can be well described and analyzed within an independent-particle approximation showing similarity with the X-ray emission spectrum.

cond-mat.mtrl-sci

Surgical fine-tuning for Grape Bunch Segmentation under Visual Domain Shifts

Mobile robots will play a crucial role in the transition towards sustainable agriculture. To autonomously and effectively monitor the state of plants, robots ought to be equipped with visual perception capabilities that are robust to the rapid changes that characterise agricultural settings. In this paper, we focus on the challenging task of segmenting grape bunches from images collected by mobile robots in vineyards. In this context, we present the first study that applies surgical fine-tuning to instance segmentation tasks. We show how selectively tuning only specific model layers can support the adaptation of pre-trained Deep Learning models to newly-collected grape images that introduce visual domain shifts, while also substantially reducing the number of tuned parameters.

cs.RO

Exciton band structure of V$_2$O$_5$

Excitonic effects due to the correlation of electrons and holes in excited states of matter dominate the optical spectra of many interesting materials. They are usually studied in the long-wavelength limit. Here we investigate excitons at non-vanishing momentum transfer, corresponding to shorter wavelengths. We calculate the exciton dispersion in the prototypical layered oxide V$_2$O$_5$ by solving the Bethe-Salpeter equation of many-body perturbation theory. We discuss the change of excitation energy and intensity as a function of wavevector for bright and dark excitons, respectively, and we analyze the origin of the excitons along their dispersion. We highlight the important role of the electron-hole exchange with its impact on the exciton dispersion, the singlet-triplet splitting and the difference between the imaginary part of the macroscopic dielectric function and the loss function.

cond-mat.mtrl-sci

Pseudopotential Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures: excitonic effects in Al2O3

We present an ab initio description of optical and shallow-core x-ray absorption spectroscopies in a unified formalism based on the pseudopotential plane-wave method at the level of the Bethe-Salpeter equation (BSE) within Green's functions theory. We show that norm-conserving pseudopotentials are reliable and accurate not only for valence, but also for semicore electron excitations. In order to validate our approach, we compare BSE absorption spectra obtained with two different codes: the pseudopotential-based code EXC and the all-electron full-potential code Exciting. We take corundum $\alpha$-Al$_2$O$_3$ as an example, being a prototypical material that presents strong electron-hole interactions for both valence and core electron excitations. We analyze in detail the optical absorption spectrum as well as the Al L$_1$ and L$_{2,3}$ edges in terms of anisotropy, crystal local fields, interference and excitonic effects. We perform a thorough inspection of the origin and localization of the lowest-energy excitons, and conclude highlighting the purely electronic character off the pre-edge of L$_1$ and the dichroic nature of the optical and L$_{23}$ spectra.

cond-mat.mtrl-sci

Short-range excitonic phenomena in low-density metals

Excitonic effects in metals are commonly supposed to be weak, because the Coulomb interaction is strongly screened. We investigate the low-density regime of the homogeneous electron gas, where low-energy collective excitations and ghost modes were anticipated. Using the Bethe-Salpeter equation (BSE), we show that both phenomena exist thanks to reduced screening at short distances. This is not captured by common approximations used in ab initio BSE calculations, but requires vertex corrections that take the fermionic nature of charges into account. The electron-hole wavefunction of the low-energy modes shows strong and very anisotropic electron-hole correlation, which speaks for an excitonic character of these modes. The fact that short-range physics is at the origin of these phenomena explains why, on the other hand, also the simple adiabatic local density approximation to time-dependent density functional theory can capture these effects.

cond-mat.str-el

Robustness of electronic screening effects in electron spectroscopies: example of V$_2$O$_5$

In bulk and low-dimensional extended systems, the screening of excitations by the electron cloud is a key feature governing spectroscopic properties. Widely used computational approaches, especially in the framework of many-body perturbation theory, such as the GW approximation and the resulting approximate Bethe-Salpeter equation, are explicitly formulated in terms of the screened Coulomb interaction. In the present work we explore the effect of screening in absorption and electron energy loss spectroscopy, concentrating on the effect of local distortions on the screening and elucidating the resulting changes in the various spectra. Using the layered bulk oxide V$_2$O$_5$ as prototype material, we show in which way local distortions affect the screening, and in which way changes in the screening impact electron energy loss and absorption spectra including excitons. We highlight cancellations that make many-body effects in the spectra very robust with respect to structural modifications, while the band structure undergoes significant changes and the nature of the excitations may also be affected. This yields insight concerning the structure-properties relations that are crucial for the use of V$_2$O$_5$ as energy storage material, and more generally, that may be used to optimize the analysis and the calculation of electronic spectra in complex materials.

cond-mat.mtrl-sci

Accurate Kohn-Sham auxiliary system from the ground state density of solids

The Kohn-Sham (KS) system is an auxiliary system whose effective potential is unknown in most cases. It is in principle determined by the ground state density, and it has been found numerically for some low-dimensional systems by inverting the KS equations starting from a given accurate density. For solids, only approximate results are available. In this work, we determine accurate exchange correlation (xc) potentials for Si and NaCl using the ground state densities obtained from Auxiliary Field Quantum Monte Carlo calculations. We show that these xc potentials can be rationalized as an ensemble of environment-adapted functions of the local density. The KS band structure can be obtained with high accuracy. The true KS band gap turns out to be larger than the prediction of the local density approximation, but significantly smaller than the measurable photoemission gap, which confirms previous estimates. Finally, our findings show that the conjecture that very different xc potentials can lead to very similar densities and other KS observables is true also in solids, which questions the meaning of details of the potentials and, at the same time, confirms the stability of the KS system.

physics.comp-ph

Delocalization of dark and bright excitons in flat-band materials and the optical properties of V$_2$O$_5$

The simplest picture of excitons in materials with atomic-like localization of electrons is that of Frenkel excitons, where electrons and holes stay close together, which is associated with a large binding energy. Here, using the example of the layered oxide V$_2$O$_5$ , we show how localized charge-transfer excitations combine to form excitons that also have a huge binding energy but, at the same time, a large electron-hole distance, and we explain this seemingly contradictory finding. The anisotropy of the exciton delocalization is determined by the local anisotropy of the structure, whereas the exciton extends orthogonally to the chains formed by the crystal structure. Moreover, we show that the bright exciton goes together with a dark exciton of even larger binding energy and more pronounced anisotropy. These findings are obtained by combining first principles many-body perturbation theory calculations, ellipsometry experiments, and tight binding modelling, leading to very good agreement and a consistent picture. Our explanation is general and can be extended to other materials.

cond-mat.mtrl-sci

Towards Precise Pruning Points Detection using Semantic-Instance-Aware Plant Models for Grapevine Winter Pruning Automation

Grapevine winter pruning is a complex task, that requires skilled workers to execute it correctly. The complexity makes it time consuming. It is an operation that requires about 80-120 hours per hectare annually, making an automated robotic system that helps in speeding up the process a crucial tool in large-size vineyards. We will describe (a) a novel expert annotated dataset for grapevine segmentation, (b) a state of the art neural network implementation and (c) generation of pruning points following agronomic rules, leveraging the simplified structure of the plant. With this approach, we are able to generate a set of pruning points on the canes, paving the way towards a correct automation of grapevine winter pruning.

cs.RO

Dynamical screening in SrVO$_3$: Inelastic x-ray scattering experiments and ab initio calculations

We characterize experimentally and theoretically the high-energy dielectric screening properties of the prototypical correlated metal SrVO$_3$. The dynamical structure factor measured by inelastic x-ray scattering spectroscopy as a function of momentum transfer is in very good agreement with first-principles calculations in the adiabatic local density approximation to time-dependent density-functional theory. Our results reveal the crucial importance of crystal local fields in the charge response function of correlated materials: They lead to depolarization effects for localised excitations and couple spectra from different Brillouin zones.

cond-mat.str-el

Grapevine Winter Pruning Automation: On Potential Pruning Points Detection through 2D Plant Modeling using Grapevine Segmentation

Grapevine winter pruning is a complex task, that requires skilled workers to execute it correctly. The complexity of this task is also the reason why it is time consuming. Considering that this operation takes about 80-120 hours/ha to be completed, and therefore is even more crucial in large-size vineyards, an automated system can help to speed up the process. To this end, this paper presents a novel multidisciplinary approach that tackles this challenging task by performing object segmentation on grapevine images, used to create a representative model of the grapevine plants. Second, a set of potential pruning points is generated from this plant representation. We will describe (a) a methodology for data acquisition and annotation, (b) a neural network fine-tuning for grapevine segmentation, (c) an image processing based method for creating the representative model of grapevines, starting from the inferred segmentation and (d) potential pruning points detection and localization, based on the plant model which is a simplification of the grapevine structure. With this approach, we are able to identify a significant set of potential pruning points on the canes, that can be used, with further selection, to derive the final set of the real pruning points.

cs.CV

Whole-Body Control on Non-holonomic Mobile Manipulation for Grapevine Winter Pruning Automation

Mobile manipulators that combine mobility and manipulability, are increasingly being used for various unstructured application scenarios in the field, e.g. vineyards. Therefore, the coordinated motion of the mobile base and manipulator is an essential feature of the overall performance. In this paper, we explore a whole-body motion controller of a robot which is composed of a 2-DoFs non-holonomic wheeled mobile base with a 7-DoFs manipulator (non-holonomic wheeled mobile manipulator, NWMM) This robotic platform is designed to efficiently undertake complex grapevine pruning tasks. In the control framework, a task priority coordinated motion of the NWMM is guaranteed. Lower-priority tasks are projected into the null space of the top-priority tasks so that higher-priority tasks are completed without interruption from lower-priority tasks. The proposed controller was evaluated in a grapevine spur pruning experiment scenario.

cs.RO