arXiv subjects

Davide Curcio

Publications and source records attributed to Davide Curcio.

At least 19 recordsLinked to original sources

arXiv2026

Interfacial Oxidation Enables Charge-Transfer Contacts and Degenerate n-Doping in Monolayer MoS$_2$

High contact resistance remains a central obstacle to the integration of two-dimensional (2D) semiconductors in electronic devices. Recent advances have demonstrated that contact performance can be dramatically improved through interface engineering, including the use of group-V semimetals and charge-transfer contacts based on strong interfacial doping. Here, we show that controlled interfacial oxidation provides an effective route to convert a semimetal contact into a charge-transfer contact that degenerately $n$-dopes single layer MoS$_2$. Using a combination of angle-resolved photoemission spectroscopy, X-ray photoelectron diffraction, low-energy electron diffraction and scanning tunnelling spectroscopy, we demonstrate that putting single layer MoS$_2$ in contact with a pristine Bi layer merely results in weak doping, whereas oxidation of the Bi layer leads to a pronounced occupation of the MoS$_2$ conduction band with an electron density on the order of $10^{13}$~cm$^{-2}$. The cause of this strong electron doping is the fact that an ultrathin $\beta$-Bi$_2$O$_3$ layer forms below the MoS$_2$ and that this has a particularly low work function, thereby acting as an efficient electron donor to MoS$_2$. Interfacial oxidation thus emerges as a powerful design knob for engineering charge-transfer contacts to 2D semiconductors.

cond-mat.mtrl-sci↗

arXiv2025

Clustering-Enhanced Time- and Angle-Resolved Photoemission Study of LaTe$_3$: Absence of a Photoinduced Secondary CDW in the Electronic Structure

Optical control offers a compelling route for tailoring material properties on an ultrafast time scale. Ordered states such as charge density waves (CDWs) can be transiently melted by an ultrafast light excitation. This is also the case for the rare-earth tritelluride LaTe$_3$, a prototypical CDW compound. For this material it has recently been reported that the suppression of the primary CDW allows the transient formation of a second CDW, whose wave vector is orthogonal to the primary one. This creates the intriguing scenario where light enables switching between two distinct ordered phases of the material. While the second CDW has so far been observed by structural techniques, it remains an open question how the interplay of the two CDW phases is reflected in the material's electronic structure. We investigate this via time- and angle-resolved photoemission measurements of LaTe$_3$. The complex Fermi contour is probed using a FeSuMa analyzer, which records the photoemission intensity of the entire Fermi contour at once. The dynamics revealed by the FeSuMa analyzer are complemented by measurements using a conventional hemispherical electron analyzer. We combine conventional data analysis with $k$-means clustering, an unsupervised machine learning technique, demonstrating its strong potential for disentangling large datasets. While we do not find any features that cannot be explained by the melting and re-establishment of the primary CDW, distinct dynamics and coherent oscillations are observed in the different branches of the Fermi contour.

cond-mat.str-el↗

arXiv2024

Kramers nodal line in the charge density wave state of YTe$_3$ and the influence of twin domains

Recent studies have focused on the relationship between charge density wave (CDW) collective electronic ground states and nontrivial topological states. Using angle-resolved photoemission and density functional theory, we establish that YTe$_3$ is a CDW-induced Kramers nodal line (KNL) metal, a newly proposed topological state of matter. YTe$_3$ is a non-magnetic quasi-2D chalcogenide with a CDW wave vector ($q_{\rm cdw}$) of 0.2907c$^*$. Scanning tunneling microscopy and low energy electron diffraction revealed two orthogonal CDW domains, each with a unidirectional CDW and similar YTe$_3$. The effective band structure (EBS) computations, using DFT-calculated folded bands, show excellent agreement with ARPES because a realistic x-ray crystal structure and twin domains are considered in the calculations. The Fermi surface and ARPES intensity plots show weak shadow bands displaced by $q_{\rm cdw}$ from the main bands. These are linked to CDW modulation, as the EBS calculation confirms. Bilayer split main and shadow bands suggest the existence of crossings, according to theory and experiment. DFT bands, including spin-orbit coupling, indicate a nodal line along the $\Sigma$ line from multiple band crossings perpendicular to the KNL. Additionally, doubly degenerate bands are only found along the KNL at all energies, with some bands dispersing through the Fermi level.

cond-mat.mtrl-sci↗

arXiv2024

Autonomous microARPES

Angle-resolved photoemission spectroscopy (ARPES) is a technique used to map the occupied electronic structure of solids. Recent progress in X-ray focusing optics has led to the development of ARPES into a microscopic tool, permitting the electronic structure to be spatially mapped across the surface of a sample. This comes at the expense of a time-consuming scanning process to cover not only a three-dimensional energy-momentum ($E, k_z, k_y$) space but also the two-dimensional surface area. Here, we implement a protocol to autonomously search both $\mathbf{k}$- and real space in order to find positions of particular interest, either because of their high photoemission intensity or because of sharp spectral features. The search is based on the use of Gaussian process regression and can easily be expanded to include additional parameters or optimisation criteria. This autonomous experimental control is implemented on the SGM4 micro-focus beamline of the synchrotron radiation source ASTRID2.

cond-mat.mtrl-sci↗

arXiv2023

Mixed-valence state in the dilute-impurity regime of La-substituted SmB$_6$

Homogeneous mixed-valence (MV) behaviour is one of the most intriguing phenomena of $f$-electron systems. Despite extensive efforts, a fundamental aspect which remains unsettled is the determination of the limiting cases for which MV emerges. Here we address this question for SmB$_6$, a prototypical MV system characterized by two nearly-degenerate Sm$^{2+}$ and Sm$^{3+}$ configurations. By combining angle resolved photoemission spectroscopy (ARPES) and x-ray absorption spectroscopy (XAS), we track the evolution of the mean Sm valence, $v_{Sm}$, in the Sm$_x$La$_{1-x}$B$_6$ series. Upon substitution of Sm ions with trivalent La, we observe a linear decrease of valence fluctuations to an almost complete suppression at $x$$\,$=$\,$0.2, with $v_{Sm}$$\,$$\sim$$\,$2; surprisingly, by further reducing $x$, a re-entrant increase of $v_{Sm}$ develops, approaching the value of $v_{imp}$$\,$$\sim$$\,$2.35 in the dilute-impurity limit. Such observation departs from a monotonic evolution of $v_{Sm}$ across the whole series, as well as from the expectation of its convergence to an integer value for $x$$\,$$\rightarrow$$\,$0. Our ARPES and XAS results, complemented by a phenomenological model, demonstrate an unconventional evolution of the MV character in the Sm$_x$La$_{1-x}$B$_6$ series, paving the way to further theoretical and experimental considerations on the concept of MV itself, and its influence on the macroscopic properties of rare-earth compounds in the dilute-to-intermediate impurity regime.

cond-mat.str-el↗

arXiv2023

Current driven insulator-to-metal transition without Mott breakdown in Ca$_2$RuO$_4$

The electrical control of a material's conductivity is at the heart of modern electronics. Conventionally, this control is achieved by tuning the density of mobile charge carriers. A completely different approach is possible in Mott insulators such as Ca$_2$RuO$_4$, where an insulator-to-metal transition (IMT) can be induced by a weak electric field or current. This phenomenon has numerous potential applications in, e.g., neuromorphic computing. While the driving force of the IMT is poorly understood, it has been thought to be a breakdown of the Mott state. Using in operando angle-resolved photoemission spectroscopy, we show that this is not the case: The current-driven conductive phase arises with only a minor reorganisation of the Mott state. This can be explained by the co-existence of structurally different domains that emerge during the IMT. Electronic structure calculations show that the boundaries between domains of slightly different structure lead to a drastic reduction of the overall gap. This permits an increased conductivity, despite the persistent presence of the Mott state. This mechanism represents a paradigm shift in the understanding of IMTs, because it does not rely on the simultaneous presence of a metallic and an insulating phase, but rather on the combined effect of structurally inhomogeneous Mott phases.

cond-mat.str-el↗

arXiv2022

Charge density wave induced nodal lines in LaTe$_3$

LaTe$_3$ is a noncentrosymmetric (NC) material with time reversal (TR) symmetry in which the charge density wave (CDW) is hosted by the Te bilayers. Here, we show that LaTe$_3$ hosts a Kramers nodal line (KNL), a twofold degenerate nodal line that connects the TR invariant momenta in NC achiral systems, using angle resolved photoemission spectroscopy (ARPES), density functional theory (DFT), effective band structure (EBS) calculated by band unfolding, and symmetry arguments. DFT incorporating spin-orbit coupling (SOC) reveals that the KNL -- protected by the TR and lattice symmetries -- imposes gapless crossings between the bilayer-split CDW-induced shadow bands and the main bands. In excellent agreement with the EBS, ARPES data corroborate the presence of the KNL and show that the crossings traverse the Fermi level. Furthermore, spinless nodal lines - entirely gapped out by the SOC - are formed by the linear crossings of the shadow and main bands with a high Fermi velocity.

cond-mat.mtrl-sci↗

arXiv2022

In-situ exfoliation method of large-area 2D materials

The success in studying 2D materials inherently relies on producing samples of large area, and high quality enough for the experimental conditions. Because their 2D nature surface sensitive techniques such as photoemission spectroscopy , tunneling microscopy and electron diffraction, that work in ultra high vacuum (UHV) environment are prime techniques that have been employed with great success in unveiling new properties of 2D materials but it requires samples to be free of adsorbates. The technique that most easily and readily yields 2dmaterials of highest quality is indubitably mechanical exfoliation from bulk grown samples, however as this technique is traditionally done in dedicated environment, the transfer of these samples into UHV setups requires some form of surface cleaning that tempers with the sample quality. In this article, we report on a simple and general method of \textit{in-situ} mechanical exfoliation directly in UHV that yields large-area single-layered films. By employing standard UHV cleaning techniques and by purpusedly exploiting the chemical affinity between the substrate and the sample we could yield large area exfoliation of transition metal dichalcogenides. Multiple transition metal dichalcogenides, both metallic and semiconducting, are exfoliated \textit{in-situ} onto Au and Ag, and Ge. Exfoliated flakes are found to be sub-milimeter size with excellent crystallinity and purity, as evidenced by angle-resolved photoemission spectroscopy, atomic force microscopy and low-energy electron diffraction. In addition, we demonstrate exfoliation of air-sensitive 2D materials and possibility of controlling the substrate-2D material twist angle.

cond-mat.mtrl-sci↗

arXiv2022

Charge density wave-generated Fermi surfaces in NdTe$_3$

The electronic structure of NdTe$_3$ in the charge density wave phase (CDW) is investigated by angle-resolved photoemission spectroscopy. The combination of high-quality crystals and careful surface preparation reveals subtle and previously unobserved details in the Fermi surface topology, allowing an interpretation of the rich and unexplained quantum oscillations in the rare earth tritellurides RTe$_3$. In particular, several closed Fermi surface elements can be observed that are related to CDW-induced replicas of the original bands, leading to the curious situation in which a CDW does not only remove Fermi surface elements but creates new ones that are observable in transport experiments. Moreover, a large residual Fermi surface is found in the CDW gap, very close to the position of the gapped normal-state Fermi surface. Its area agrees very well with high-frequency quantum oscillations in NdTe$_3$ and its presence is explained by strong electron-phonon coupling combined with the quasi one-dimensional character of the CDW. Finally, we identify the origin of the low-frequency $\alpha$ quantum oscillations ubiquitous for the lighter R elements in the RTe$_3$ family and responsible for the high mobility in these compounds.

cond-mat.str-el↗

arXiv2022

Tracking the surface atomic motion in a coherent phonon oscillation

X-ray photoelectron diffraction is a powerful tool for determining the structure of clean and adsorbate-covered surfaces. Extending the technique into the ultrafast time domain will open the door to studies as diverse as the direct determination of the electron-phonon coupling strength in solids and the mapping of atomic motion in surface chemical reactions. Here we demonstrate time-resolved photoelectron diffraction using ultrashort soft X-ray pulses from the free electron laser FLASH. We collect Se 3d photoelectron diffraction patterns over a wide angular range from optically excited Bi$_2$Se$_3$ with a time resolution of 140 fs. Combining these with multiple scattering simulations allows us to track the motion of near-surface atoms within the first 3 ps after triggering a coherent vibration of the A$_{1g}$ optical phonons. Using a fluence of 4.2 mJ/cm$^2$ from a 1.55 eV pump laser, we find the resulting coherent vibrational amplitude in the first two interlayer spacings to be on the order of 1 pm.

cond-mat.mtrl-sci↗

arXiv2022

One-dimensional electronic states in a natural misfit structure

Misfit compounds are thermodynamically stable stacks of two-dimensional materials, forming a three-dimensional structure that remains incommensurate in one direction parallel to the layers. As a consequence, no true bonding is expected between the layers, with their interaction being dominated by charge transfer. In contrast to this well-established picture, we show that interlayer coupling can strongly influence the electronic properties of one type of layer in a misfit structure, in a similar way to the creation of modified band structures in an artificial moir\'e structure between two-dimensional materials. Using angle-resolved photoemission spectroscopy with a micron-scale light focus, we selectively probe the electronic properties of hexagonal NbSe$_2$ and square BiSe layers that terminate the surface of the (BiSe)$_{1+\delta}$NbSe$_2$ misfit compound. We show that the band structure in the BiSe layers is strongly affected by the presence of the hexagonal NbSe$_2$ layers, leading to quasi one-dimensional electronic features. The electronic structure of the NbSe$_2$ layers, on the other hand, is hardly influenced by the presence of the BiSe. Using density functional theory calculations of the unfolded band structures, we argue that the preferred modification of one type of bands is mainly due to the atomic and orbital character of the states involved, opening a promising way to design novel electronic states that exploit the partially incommensurate character of the misfit compounds.

cond-mat.mtrl-sci↗

arXiv2021

Visualizing band structure hybridization and superlattice effects in twisted MoS$_2$/WS$_2$ heterobilayers

A mismatch of atomic registries between single-layer transition metal dichalcogenides (TMDs) in a two dimensional van der Waals heterostructure produces a moir\'e superlattice with a periodic potential, which can be fine-tuned by introducing a twist angle between the materials. This approach is promising both for controlling the interactions between the TMDs and for engineering their electronic band structures, yet direct observation of the changes to the electronic structure introduced with varying twist angle has so far been missing. Here, we probe heterobilayers comprised of single-layer MoS$_2$ and WS$_2$ with twist angles of $(2.0 \pm 0.5)^{\circ}$, $(13.0 \pm 0.5)^{\circ}$, and $(20.0 \pm 0.5)^{\circ}$ and investigate the differences in their electronic band structure using micro-focused angle-resolved photoemission spectroscopy. We find strong interlayer hybridization between MoS$_2$ and WS$_2$ electronic states at the $\bar{\mathrm{\Gamma}}$-point of the Brillouin zone, leading to a transition from a direct bandgap in the single-layer to an indirect gap in the heterostructure. Replicas of the hybridized states are observed at the centre of twist angle-dependent moir\'e mini Brillouin zones. We confirm that these replica features arise from the inherent moir\'e potential by comparing our experimental observations with density functional theory calculations of the superlattice dispersion. Our direct visualization of these features underscores the potential of using twisted heterobilayer semiconductors to engineer hybrid electronic states and superlattices that alter the electronic and optical properties of 2D heterostructures.

cond-mat.mtrl-sci↗

arXiv2021

Ultrafast electronic line width broadening in the C 1s core level of graphene

Core level binding energies and absorption edges are at the heart of many experimental techniques concerned with element-specific structure, electronic structure, chemical reactivity, elementary excitations and magnetism. X-ray photoemission spectroscopy (XPS) in particular, can provide information about the electronic and vibrational many-body interactions in a solid as these are reflected in the detailed energy distribution of the photoelectrons. Ultrafast pump-probe techniques add a new dimension to such studies, introducing the ability to probe a transient state of the many-body system. Here we use a free electron laser to investigate the effect of a transiently excited electron gas on the core level spectrum of graphene, showing that it leads to a large broadening of the C 1s peak. Confirming a decade-old prediction, the broadening is found to be caused by an exchange of energy and momentum between the photoemitted core electron and the hot electron system, rather than by vibrational excitations. This interpretation is supported by a line shape analysis that accounts for the presence of the excited electrons. Fitting the spectra to this model directly yields the electronic temperature of the system, in agreement with electronic temperature values obtained from valence band data. Furthermore, making use of time- and momentum-resolved C 1s spectra, we illustrate how the momentum change of the outgoing core electrons leads to a small but detectable change in the time-resolved photoelectron diffraction pattern and to a nearly complete elimination of the core level binding energy variation associated with the narrow $σ$-band in the C 1s state. The results demonstrate that the XPS line shape can be used as an element-specific and local probe of the excited electron system and that X-ray photoelectron diffraction investigations remain feasible at very high electronic temperatures.

cond-mat.str-el↗

arXiv2021

Electronic Properties of Single-Layer CoO$_2$/Au(111)

We report direct measurements via angle-resolved photoemission spectroscopy (ARPES) of the electronic dispersion of single-layer CoO$_2$. The Fermi contour consists of a large hole pocket centered at the $\overlineΓ$ point. To interpret the ARPES results, we use density functional theory (DFT) in combination with the multi-orbital Gutzwiller Approximation (DFT+GA), basing our calculations on crystalline structure parameters derived from x-ray photoelectron diffraction and low-energy electron diffraction. Our calculations are in good agreement with the measured dispersion. We conclude that the material is a moderately correlated metal. We also discuss substrate effects, and the influence of hydroxylation on the CoO$_2$ single-layer electronic structure.

cond-mat.mtrl-sci↗

arXiv2020

An open-source, end-to-end workflow for multidimensional photoemission spectroscopy

Characterization of the electronic band structure of solid state materials is routinely performed using photoemission spectroscopy. Recent advancements in short-wavelength light sources and electron detectors give rise to multidimensional photoemission spectroscopy, allowing parallel measurements of the electron spectral function simultaneously in energy, two momentum components and additional physical parameters with single-event detection capability. Efficient processing of the photoelectron event streams at a rate of up to tens of megabytes per second will enable rapid band mapping for materials characterization. We describe an open-source workflow that allows user interaction with billion-count single-electron events in photoemission band mapping experiments, compatible with beamlines at $3^{\text{rd}}$ and $4^{\text{th}}$ generation light sources and table-top laser-based setups. The workflow offers an end-to-end recipe from distributed operations on single-event data to structured formats for downstream scientific tasks and storage to materials science database integration. Both the workflow and processed data can be archived for reuse, providing the infrastructure for documenting the provenance and lineage of photoemission data for future high-throughput experiments.

physics.data-an↗

arXiv2020

Observation of Electrically Tunable van Hove Singularities in Twisted Bilayer Graphene from nanoARPES

The possibility of triggering correlated phenomena by placing a singularity of the density of states near the Fermi energy remains an intriguing avenue towards engineering the properties of quantum materials. Twisted bilayer graphene is a key material in this regard because the superlattice produced by the rotated graphene layers introduces a van Hove singularity and flat bands near the Fermi energy that cause the emergence of numerous correlated phases, including superconductivity. While the twist angle-dependence of these properties has been explored, direct demonstration of electrostatic control of the superlattice bands over a wide energy range has, so far, been critically missing. This work examines a functional twisted bilayer graphene device using in-operando angle-resolved photoemission with a nano-focused light spot. A twist angle of 12.2$^{\circ}$ is selected such that the superlattice Brillouin zone is sufficiently large to enable identification of van Hove singularities and flat band segments in momentum space. The doping dependence of these features is extracted over an energy range of 0.4 eV, expanding the combinations of twist angle and doping where they can be placed at the Fermi energy and thereby induce new correlated electronic phases in twisted bilayer graphene.

cond-mat.mtrl-sci↗

arXiv2020

Momentum-resolved view of highly tunable many-body effects in a graphene/hBN field-effect device

Integrating the carrier tunability of a functional two-dimensional material electronic device with a direct probe of energy- and momentum-resolved electronic excitations is essential to gain insights on how many-body interactions are influenced during device operation. Here, we use micro-focused angle-resolved photoemission in order to analyze many-body interactions in back-gated graphene supported on hexagonal boron nitride. By extracting the doping-dependent quasiparticle dispersion and self-energy, we observe how these interactions renormalize the Dirac cone and impact the electron mobility of our device. Our results are not only limited to a finite energy range around the Fermi level, as in electron transport measurements, but describe interactions on a much wider energy scale, extending beyond the regime of hot carrier excitations.

cond-mat.mes-hall↗

arXiv2020

Observation of an excitonic Mott transition through ultrafast core-$\textit{cum}$-conduction photoemission spectroscopy

Time-resolved soft-X-ray photoemission spectroscopy is used to simultaneously measure the ultrafast dynamics of core-level spectral functions and excited states upon excitation of excitons in WSe$_2$. We present a many-body approximation for the Green's function, which excellently describes the transient core-hole spectral function. The relative dynamics of excited-state signal and core levels reveals a delayed core-hole renormalization due to screening by excited quasi-free carriers, revealing an excitonic Mott transition. These findings establish time-resolved core-level photoelectron spectroscopy as a sensitive probe of subtle electronic many-body interactions and an ultrafast electronic phase transition.

cond-mat.mes-hall↗