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P. E. Trevisanutto

Publications and source records attributed to P. E. Trevisanutto.

13 recordsLinked to original sources
arXiv2026

Physics-Informed Graph-Neural Decoding of the Surface Code: the Logical Signal as an Exact Topological Pairing

We develop a physics-informed graph neural network (GNN) decoder for the surface code that solves a discrete Poisson equation on the syndrome graph, with the syndrome as the charge source. We compare four readout architectures for extracting the logical-error probability: a potential-based readout that maps the Poisson field through a multilayer perceptron, two current-based readouts under single- and two-sink Dirichlet boundary conditions, and a diffusion-based variant. Comparing these, we show that the solver's edge current is a pure gradient flow whose harmonic (circulating) part vanishes identically. The logical signal therefore cannot be read as a component of the current itself; it is instead a topological pairing between the syndrome and a boundary-fixed harmonic coordinate that distinguishes the two code boundaries linked by the logical operator. We prove that this pairing is evaluated exactly and in closed form, with no learned readout parameters, as the net current drained between the two boundary sinks. On the rotated surface code under circuit-level depolarising noise, this single closed-form scalar matches the best full-field readout and, at larger code distance, significantly exceeds the single-sink current pool, so that isolating the pairing helps more, not less, as the field grows larger and sparser. The decoder is not intended to surpass minimum-weight perfect matching, near-optimal for this noise model; its contribution is an interpretable characterisation of the logical signal itself.

quant-ph↗
arXiv2025

The role of primary and secondary electrons in scanning transmission electron microscopy of hybrid perovskites: the CsPbBr$_{3}$ case

High-resolution imaging has revolutionized materials science by offering detailed insights into the atomic structures of materials. Electron microscopy and spectroscopy rely on analysing backscattered and transmitted electrons as well as stimulated radiation emission to form structural and chemical maps. These signals contain information about the elastic and inelastic electron-scattering processes within the sample, including collective and single electron excitations such as plasmons, inter- and intraband transitions. In this study, ab initio and Monte Carlo simulations were performed to investigate the behaviour of high-energy primary and secondary electrons in scanning transmission experiments on CsPbBr$_3$ nanosamples. CsPbBr$_3$ is a perovskite material known for its high photoluminescence quantum yield, making it promising for applications in light-emitting devices and solar cells. This study explores and estimates the reflection and transmission of primary and secondary electrons based on their kinetic energy as well as sample thickness and work function. The spatial distribution and energy spectra of the secondary electrons are also examined and calculated to understand their generation depth and energy dynamics. These findings establish a theoretical framework for studying electron-material interactions and can aid in optimizing scanning microscopy techniques for imaging and characterizing advanced materials.

cond-mat.mtrl-sci↗
arXiv2021

Computational methods for 2D materials modelling

Materials with thickness ranging from a few nanometers to a single atomic layer present unprecedented opportunities to investigate new phases of matter constrained to the two-dimensional plane.Particle-particle Coulomb interaction is dramatically affected and shaped by the dimensionality reduction, driving well-established solid state theoretical approaches to their limit of applicability. Methodological developments in theoretical modelling and computational algorithms, in close interaction with experiments, led to the discovery of the extraordinary properties of two-dimensional materials, such as high carrier mobility, Dirac cone dispersion and bright exciton luminescence, and inspired new device design paradigms. This review aims to describe the computational techniques used to simulate and predict the optical, electronic and mechanical properties of two-dimensional materials, and to interpret experimental observations. In particular, we discuss in detail the particular challenges arising in the simulation of two-dimensional constrained fermions, and we offer our perspective on the future directions in this field.

cond-mat.mes-hall↗
arXiv2021

Collective excitations and quantum incompressibility in electron-hole bilayers

We apply quantum continuum mechanics to the calculation of the excitation spectrum of a coupled electron-hole bilayer. The theory expresses excitation energies in terms of ground-state intra- and inter-layer pair correlation functions, which are available from Quantum Monte Carlo calculations. The final formulas for the collective modes deduced from this approach coincide with the formulas obtained in the "quasi-localized particle approximation" by Kalman et al., and likewise, the theory predicts the existence of gapped excitations in the charged channels, with the gap arising from electron-hole correlation. An immediate consequence of the gap is that the static density-density response function of the charged channel vanishes as $q^2$ for wave vector $q \to 0$, rather than linearly in $q$, as commonly expected. In this sense, the system is {\it incompressible}. This feature, which has no analogue in the classical electron-hole plasma, is consistent with the existence of an excitonic ground state and implies the existence of a discontinuity in the chemical potential of electrons and holes when the numbers of electrons and holes are equal. It should be experimentally observable by monitoring the densities of electrons and holes in response to potentials that attempt to change these densities in opposite directions.

cond-mat.str-el↗
arXiv2016

Strongly bound Mott-Wannier Excitons in GeS and GeSe monolayers

The excitonic spectra of single layer GeS and GeSe are predicted by ab initio GW-Bethe Salpeter equation calculations. G 0 W 0 calculations for the band structures find a fundamental band gap of 2.85 eV for GeS and 1.70 eV for GeSe monolayer. However, excitons are tightly bound, specially in GeS at the Γ point, where the quasi-particle interactions are so strong that they shift the Γ exciton peak energy into the visible range and below the off-Γ exciton peak. The lowest energy excitons in both materials are excited by light along the zigzag direction and have exciton binding energies of 1.05 eV and 0.4 eV, respectively, but despite the strong binding, the calculated binding energies are in agreement with a Mott-Wannier model.

cond-mat.mes-hall↗
arXiv2016

Emerging giant resonant exciton induced by Ta-substitution in anatase TiO$_{2}$: a tunable correlation effect

Titanium dioxide (TiO$_2$) has rich physical properties with potential implications in both fundamental physics and new applications. Up-to-date, the main focus of applied research is to tune its optical properties, which is usually done via doping and/or nano-engineering. However, understanding the role of $d$-electrons in materials and possible functionalization of $d$-electron properties are still major challenges. Herewith, within a combination of an innovative experimental technique, high energy optical conductivity, and of the state-of-the-art {\it ab initio} electronic structure calculations, we report an emerging, novel resonant exciton in the deep ultraviolet region of the optical response. The resonant exciton evolves upon low concentration Ta-substitution in anatase TiO$_{2}$ films. It is surprisingly robust and related to strong electron-electron and electron-hole interactions. The $d$- and $f$- orbitals localization, due to Ta-substitution, plays an unexpected role, activating strong electronic correlations and dominating the optical response under photoexcitation. Our results shed light on a new optical phenomenon in anatase TiO$_{2}$ films and on the possibility of tuning electronic properties by Ta substitution.

cond-mat.str-el↗
arXiv2015

Hedin equations in resonant micro-cavities

With the improvement of the experimental techniques, many new phenomena where the photon degrees of freedom are involved have been discovered. Typical examples are the exciton-polariton quasi-particles, excitons strongly coupled to photons. A correct description of these systems requires a full account of the photon's dynamics, including the vector gauge degrees of freedom. In order to include this contribution in \emph{ab initio} many-body perturbation theories, here we present a generalization of the Hedin equations, originally derived for a many electron system with Coulomb interaction. These equations are now derived in order to take into account the strong coupling physics of the electrons and the \textit{transverse} photon's degrees of freedom.

cond-mat.str-el↗
arXiv2014

Phosphorene oxides: bandgap engineering of phosphorene by oxidation

We show that oxidation of phosphorene can lead to the formation of a new family of planar (2D) and tubular (1D) oxides and sub-oxides, most of them insulating. This confers to black phosphorus a native oxide that can be used as barrier material and protective layer. Further, the bandgap of phosphorene oxides depends on the oxygen concentration, suggesting that controlled oxidation can be used as a means to engineer the bandgap. For the oxygen saturated composition, P$_2$O$_5$, both the planar and tubular phases have a large bandgap energy of about 8.5eV, and are transparent in the near UV. These two forms of phosphorene oxides are predicted to have the same formation enthalpy as o$^\prime$-P$_2$O$_5$, the most stable of the previously known forms of phosphorus pentoxide.

cond-mat.mes-hall↗
arXiv2014

Generalized gradient approximation correlation energy functionals based on the uniform electron gas with gap model

We study the uniform electron gas with a gap model in the context of density functional theory. Based on this analysis, we construct two local gap models that realize generalized gradient approximation (GGA) correlation functionals satisfying numerous exact constraints for the correlation energy. The first one, named GAPc, fulfills the full second-order correlation gradient expansion at any density regime, is very accurate for jellium surfaces, comparable to state-of-the-art GGAs for atomic systems and molecular systems, and well compatible with known semilocal exchange. The second functional, named GAPloc, is satisfying the same exact conditions, except that the second-order gradient expansion is sacrificed for a better behavior under the Thomas-Fermi scaling and a more realistic correlation energy density of the hellium atom. The GAPloc functional displays a high accuracy for atomic correlation energies, still preserving a reasonable behavior for jellium surfaces. Moreover, it shows a higher compatibility with the Hartree-Fock exchange than other semilocal correlation functionals. This feature is explained in terms of the real-space analysis of the GAPloc correlation energy.

cond-mat.other↗
arXiv2012

The bandstructure of gold from many-body perturbation theory

The bandstructure of gold is calculated using many-body perturbation theory (MBPT). Different approximations within the GW approach are considered. Standard single shot G0W0 corrections shift the unoccupied bands up by ~0.2 eV and the first sp-like occupied band down by ~0.4 eV, while leaving unchanged the 5d occupied bands. Beyond G0W0, quasiparticle self-consistency on the wavefunctions lowers the occupied 5d bands by 0.35 eV. Globally, many-body effects achieve an opening of the interband gap (5d-6sp gap) of 0.35 to 0.75 eV approaching the experimental results. Finally, the quasiparticle bandstructure is compared to the one obtained by the widely used HSE (Heyd, Scuseria, and Ernzerhof) hybrid functional.

cond-mat.mtrl-sci↗
arXiv2011

Transport properties of molecular junctions from many-body perturbation theory

The conductance of single molecule junctions is calculated using a Landauer approach combined to many-body perturbation theory MBPT) to account for electron correlation. The mere correction of the density-functional theory eigenvalues, which is the standard procedure for quasiparticle calculations within MBPT, is found not to affect noticeably the zero-bias conductance. To reduce it and so improve the agreement with the experiments, the wavefunctions also need to be updated by including the non-diagonal elements of the self-energy operator.

cond-mat.mes-hall↗
arXiv2008

Ab initio GW many-body effects in graphene

We present an {\it ab initio} many-body GW calculation of the self-energy, the quasiparticle band plot and the spectral functions in free-standing undoped graphene. With respect to other approaches, we numerically take into account the full ionic and electronic structure of real graphene and we introduce electron-electron interaction and correlation effects from first principles. Both non-hermitian and also dynamical components of the self-energy are fully taken into account. With respect to DFT-LDA, the Fermi velocity is substantially renormalized and raised by a 17%, in better agreement with magnetotransport experiments. Furthermore, close to the Dirac point the linear dispersion is modified by the presence of a kink, as observed in ARPES experiments. Our calculations show that the kink is due to low-energy $π\to π^*$ single-particle excitations and to the $π$ plasmon. Finally, the GW self-energy does not open the band gap.

cond-mat.mtrl-sci↗