arXiv subjects

Emmanuele Cappelluti

Publications and source records attributed to Emmanuele Cappelluti.

At least 19 recordsLinked to original sources

arXiv2025

Pump-driven opto-magnetic properties in semiconducting transition-metal dichalcogenides: an analytical model

Single-layer transition-metal dichalcogenides provide an unique intrinsic entanglement between the spin/valley/orbital degrees of freedom and the polarization of scattered photons. This scenario gives rise to the well-assessed optical dichroism observed by using both steady and time-resolved probes. In this paper we provide a compact analytical modelling of the onset of a finite Faraday/Kerr optical rotation upon shining with a circularly polarized light. We identify different optical features displaying optical rotation at different characteristic energies, and we describe in an analytical framework the time-dependence of their intensities as a consequence of the main spin-conserving and spin-flip processes.

cond-mat.mtrl-sci↗

arXiv2024

Ultrafast light-driven optical rotation and hidden orders in bulk WSe$_2$

Single-layer semiconducting transition-metal dichalcogenides, lacking point inversion symmetry, provide an efficient platform for valleytronics, where the electronic, magnetic, valley and lattice degrees of freedom can be selectively manipulated by using polarized light. This task is however thought to be limited in parent bulk compounds where the point inversion symmetry is restored. Exploiting the underlying quantum physics in bulk materials is thus one of the biggest paradigmatic challenges. Here we show that a sizable optical Kerr rotation can be efficiently generated in a wide energy range on ultrafast timescales in bulk WSe$_2$, by means of circularly-polarized light. We rationalize these findings as a result of the hidden spin/layer/valley quantum entanglement. The spectral analysis reveals clear features at the three characteristic frequencies corresponding to the A-, B- and C-exciton edges. The origin and the relative sign of all these features is shown to stem from the selective Pauli blocking of intralayer and interlayer optical transitions. The long lifetime of the broadband Kerr response ($τ\sim 500$ fs) provides a strong indication that coupled photo-induced electron and hole densities survive in bulk compounds longer than previously expected. The present report demonstrates that a hidden quantum entanglement is operative also in bulk centrosymmetric layered materials, opening the way for an effective exploitation of bulk WSe$_2$ in optoelectronic applications.

cond-mat.mes-hall↗

arXiv2023

Terahertz Saturable Absorption from Relativistic High-Temperature Thermodynamics in Black Phosphorus

Thanks to its tunable infrared band-gap and to its anisotropic conduction properties, black phosphorus represents a very unique 2D material, whose potential in the engineering of new devices still needs to be fully explored. We investigate here the nonlinear terahertz (THz) electrodynamics of black phosphorus along the more conducting armchair direction. Similarly to the case of other 2D systems like graphene and topological insulators, the THz saturable absorption properties of black phosphorus can be understood within a thermodynamic model by assuming a fast thermalization of the electron bath. While black phosphorus does not display the presence of massless fermions at ambient pressure and temperature, our analysis shows that its anomalous THz nonlinear properties can be accounted for by a relativistic massive Dirac dispersion, provided the Fermi temperature is low enough. An optimal tuning of the Fermi level therefore represents a strategy to engineer strong THz nonlinear response in other massive Dirac materials as in transition metal dichalchogenides or high-temperature superconductors.

cond-mat.mtrl-sci↗

arXiv2023

Flat-band optical phonons in twisted bilayer graphene

Twisting bilayer sheets of graphene have been proven to be an efficient way to manipulate the electronic Dirac-like properties, resulting in flat bands at magic angles. Inspired by the electronic model, we develop a continuum model for the lattice dynamics of twisted bilayer graphene and we show that a remarkable band flattening applies to almost all the high-frequency in-plane lattice vibration modes, including the valley Dirac phonon, valley optical phonon, and zone-center optical phonon bands. Utilizing an approximate approach, we estimate small but finite magic angles at which a vanishing phonon bandwidth is expected. In contrast to the electronic case, the existence of a restoring potential prohibits the emergence of a magic angle in a more accurate modeling. The predicted phonon band-flattening is highly tunable by the twist angle and this strong dependence is directly accessible by spectroscopic tools.

cond-mat.mtrl-sci↗

arXiv2022

Properties and challenges of hot-phonon physics in metals: MgB$_2$ and other compounds

The ultrafast dynamics of electrons and collective modes in systems out of equilibrium is crucially governed by the energy transfer from electronic degrees of freedom, where the energy of the pump source is usually absorbed, to lattice degrees of freedom. In conventional metals such process leads to an overall heating of the lattice, usually described by an effective lattice temperature $T_{\rm ph}$, until final equilibrium with all the degrees of freedom is reached. In specific materials, however, few lattice modes provide a preferential channel for the energy transfer, leading to a non-thermal distribution of vibrations and to the onset of {\em hot phonons}, i.e., lattice modes with a much higher population than the other modes. Hot phonons are usually encountered in semiconductors or semimetal compounds, like graphene, where the preferential channel towards hot modes is dictated by the reduced electronic phase space. Following a different path, the possibility of obtaining hot-phonon physics also in metals has been however also recently prompted in literature, as a result of a strong anisotropy of the electron-phonon (el-ph) coupling. In the present paper, taking MgB$_2$ as a representative example, we review the physical conditions that allow a hot-phonon scenario in metals with anisotropic el-ph coupling, and we discuss the observable fingerprints of hot phonons. Novel perspectives towards the prediction and experimental observation of hot phonons in other metallic compounds are also discussed.

cond-mat.mtrl-sci↗

arXiv2022

Strain-driven chiral phonons in two-dimensional hexagonal materials

Hexagonal two-dimensional materials with broken inversion symmetry (as BN or transition metal dichalcodenides) are known to sustain chiral phonons with finite angular momentum, adding a further useful degree of freedom to the extraordinary entangled (electrical, optical, magnetic and mechanical) properties of these compounds. However, because of lattice symmetry constraints, such chiral modes are constrained to the corners of the Brillouin zone, allowing little freedom for manipulating the chiral features. In this work, we show how the application of uniaxial strain leads to the existence of new chiral modes in the vicinity of the zone center. We also show that such strain-induced chiral modes, unlike the ones pinned at the K points, can be efficiently manipulated by modifying the strain itself, which determines the position of these modes in the Brillouin Zone. The results of the present paper add a new technique for the engineering of the quantum properties of two-dimensional lattices.

cond-mat.mes-hall↗

arXiv2020

Many-Body Effects in Third Harmonic Generation of Graphene

The low-energy (intraband) range of the third harmonic generation of graphene in the terahertz regime is governed by the damping terms induced by the interactions. A controlled many-body description of the scattering processes is thus a compelling and desirable requirement. In this paper, using a Kadanoff-Baym approach, we systematically investigate the impact of many-body interaction on the third-harmonic generation (THG) of graphene, taking elastic impurity scattering as a benchmark example. We predict the onset in the mixed inter-intraband regime of novel incoherent features driven by the interaction at four- and five-photon transition frequencies in the third-harmonic optical conductivity with a spectral weight proportional to the scattering rate.We show also that, in spite of the complex many-body physics, the purely intraband term governing the limit $ω\to 0$ resembles the constraints of the phenomenological model. We ascribe this agreement to the fulfilling of the conservation laws enforced by the conserving approach. The overlap with novel incoherent features and the impact of many-body driven multi-photon vertex couplings limit however severely the validity of phenomenological description.

cond-mat.mes-hall↗

arXiv2020

Dominant Role of Two-Photon Vertex in Nonlinear Response of Dirac Materials

Using a conserving Baym-Kadanoff approach, we present a fully compelling theory of nonlinear dc response of a Dirac system to electric fields in the presence of disorder scattering. We show that the nonlinear terms are strikingly ruled by the appearance of a dominant two-photon vertex which is absent at the bare level and finite even in the weak-coupling limit. Such two-photon vertex self-generation highlights the crucial role of the frequency and field dependence of the scattering rates in the nonlinear regime. Our study reveals a novel many-body mechanism in the nonlinear response of Dirac materials whose effects are predicted to be observable.

cond-mat.mes-hall↗

arXiv2019

Giant Effective charges and Piezoelectricity in Gapped Graphene

Since the first realization of reversible charge doping in graphene via field-effect devices, it has become evident how the induction a gap could further enhance its potential for technological applications. Here we show that the gap opening due to a sublattice symmetry breaking has also a profound impact on the polar response of graphene. By combining ab-initio calculations and analytical modelling we show that for realistic band-gap values ($Δ\lesssim 0.5$ eV) the piezoelectric coefficient and the Born effective charge of graphene attain a giant value, independent on the gap. In particular the piezoelectric coefficient per layer of gapped mono- and bilayer graphene is three times larger than that of a large-gap full polar insulator as hexagonal Boron Nitride (h-BN) monolayer, and 30\% larger than that of a polar semiconductor as MoS$_2$. This surprising result indicates that piezoelectric acoustic-phonons scattering can be relevant to model charge transport and charge-carrier relaxation in gated bilayer graphene. The independence of the piezoelectric coefficient and of the Born effective charge on the gap value follows from the connection between the polar response and the valley Chern number of gapped Dirac electrons, made possible by the effective gauge-field description of the electron-lattice/strain coupling in these systems. In the small gap limit, where the adiabatic ab-initio approximation fails, we implement analytically the calculation of the dynamical effective charge, and we establish a universal relation between the complex effective charge and the so-called Fano profile of the phonon optical peak. Our results provide a general theoretical framework to understand and compute the polar response in narrow-gap semiconductors, but may also be relevant for the contribution of piezoelectric scattering to the transport properties in Dirac-like systems.

cond-mat.mtrl-sci↗

arXiv2018

Helical metals and insulators and sheet singularity of inflated Berry monopole

We study the new phases of interacting Dirac matter that host novel Berry signatures. We predict a topological Lifshitz phase transition caused by the changes of a Dirac cone intersection from a semimetalic phase to helical insulating or metallic phases. These helical phases provide the examples of gapless topological phase where spectral gap is not required for a topological protection. To realize nodal helical phases one would need to consider isotropic infinite-range inter-particle interaction. This interaction could emerge because of a momentum conserving scattering of electron from a bosonic mode. For repulsive/attractive interactions in density/pseudospin channel system undergoes a transition to helical insulator phase. For an attractive density-density interaction, a new metallic phase forms that hosts {\it nodal circle} and {\it nodal sphere} in two and three dimensions, respectively. A {\it sheet singularity} of Berry curvature is highlighted as a peculiar feature of the nodal sphere phase in 3D and represent the extension of the Berry monopole singularities into inflated monopole. To illustrate the properties of these helical phases we investigate Landau levels in both metallic and insulating phases. Our study provides an extension of the paradigm in the interacting Dirac matter and makes an interesting connection to inflated topological singularities in cosmology.

cond-mat.str-el↗

arXiv2017

Impurity effects and bandgap-closing in massive Dirac systems

We investigate the effects in the spectral properties of a massive Dirac system of the dynamical renormalization induce by disorder/impurity scattering within the self-consistent Born approximation. We show how that these effects leads to a remarkable closing of the bandgap edge. Above a critical value $U_c$ of the impurity scattering the gap eventually closes, giving rise a finite density of states at zero energy. We show that the bandgap closing stems from the quasi-particle dynamical renormalization and it is not associated with the vanishing of the effective massive term. Incoherent processes are fundamental to describe such physics.

cond-mat.mes-hall↗

arXiv2017

Two-dimensional Rashba metals: unconventional low-temperature transport properties

Rashba spin-orbit coupling emerges in materials lacking of structural inversion symmetry, such as heterostructures, quantum wells, surface alloys and polar materials, just to mention few examples. It yields a coupling between the spin and momentum of electrons formally identical to that arising from the weakly-relativistic limit of the Dirac equation. The purpose of the present work is to give an overview of the unconventional dc transport properties of two-dimensional metals with strong Rashba spin-orbit coupling, discussing in addition the effects of thermal broadening.

cond-mat.mes-hall↗

arXiv2017

Real-time Observation of Phonon-Mediated $σ$-$π$ Interband Scattering in MgB2

In systems having an anisotropic electronic structure, such as the layered materials graphite, graphene and cuprates, impulsive light excitation can coherently stimulate specific bosonic modes, with exotic consequences for the emergent electronic properties. Here we show that the population of E$_{2g}$ phonons in the multiband superconductor MgB$_2$ can be selectively enhanced by femtosecond laser pulses, leading to a transient control of the number of carriers in the σ-electronic subsystem. The nonequilibrium evolution of the material optical constants is followed in the spectral region sensitive to both the a- and c-axis plasma frequencies and modeled theoretically, revealing the details of the $σ$-$π$ interband scattering mechanism in MgB$_2$.

cond-mat.supr-con↗

arXiv2016

Band structure and electron-phonon coupling in H$_3$S:a tight-binding model

We present a robust tight-binding description, based on the Slater-Koster formalism, of the band structure of H$_3$S in the {\em Im}$\bar{3}${\em m} structure, stable in the range of pressure $P = 180-220$ GPa. We show that the interatomic hopping between the 3$s$ and 3$p$ orbitals (and partially between the 3$p$ orbitals themselves) of sulphur is fundamental to capture the relevant physics associated with the Van Hove singularities close to the Fermi level. Comparing the model so defined with density functional theory calculations we obtain a very good agreement not only of the overall band-structure, but also of the low-energy states and of the Fermi surface properties. The description in terms of Slater-Koster parameters permits us also to evaluate at a microscopic level a hopping-resolved linear electron-lattice coupling which can be employed for further tight-binding analyses also at a local scale.

cond-mat.str-el↗

arXiv2016

Unconventional dc transport in Rashba electron gases

We discuss the transport properties of a disordered two-dimensional electron gas with strong Rashba spin-orbit coupling. We show that in the high-density regime where the Fermi energy overcomes the energy associated with spin-orbit coupling, dc transport is accurately described by a standard Drude's law, due to a non-trivial compensation between the suppression of back-scattering and the relativistic correction to the quasi-particle velocity. On the contrary, when the system enters the opposite dominant spin-orbit regime, Drude's paradigm breaks down and the dc conductivity becomes strongly sensitive to the spin-orbit coupling strength, providing a suitable tool to test the entanglement between spin and charge degrees of freedom in these

cond-mat.mes-hall↗

arXiv2015

Theory of strain in single-layer transition metal dichalcogenides

Strain engineering has emerged as a powerful tool to modify the optical and electronic properties of two-dimensional crystals. Here we perform a systematic study of strained semiconducting transition metal dichalcogenides. The effect of strain is considered within a full Slater-Koster tight-binding model, which provides us with the band structure in the whole Brillouin zone. From this, we derive an effective low-energy model valid around the K point of the BZ, which includes terms up to second order in momentum and strain. For a generic profile of strain, we show that the solutions for this model can be expressed in terms of the harmonic oscillator and double quantum well models, for the valence and conduction bands respectively. We further study the shift of the position of the electron and hole band edges due to uniform strain. Finally, we discuss the importance of spin-strain coupling in these 2D semiconducting materials.

cond-mat.mtrl-sci↗

arXiv2015

Strain engineering in semiconducting two-dimensional crystals

One of the fascinating properties of the new families of two-dimensional crystals is their high stretchability and the possibility to use external strain to manipulate, in a controlled manner, their optical and electronic properties. Strain engineering, understood as the field that study how the physical properties of materials can be tuned by controlling the elastic strain fields applied to it, has a perfect platform for its implementation in the atomically thin semiconducting materials. The object of this review is to give an overview of the recent progress to control the optical and electronics properties of 2D crystals, by means of strain engineering. We will concentrate on semiconducting layered materials, with especial emphasis in transition metal dichalcogenides (MoS$_2$, WS$_2$, MoSe$_2$ and WSe$_2$). The effect of strain in other atomically thin materials like black phosphorus, silicene, etc., is also considered. The benefits of strain engineering in 2D crystals for applications in nanoelectronics and optoelectronics will be revised, and the open problems in the field will be discussed.

cond-mat.mes-hall↗

arXiv2015

Dielectric Screening in Atomically Thin Boron Nitride Nanosheets

Two-dimensional (2D) hexagonal boron nitride (BN) nanosheets are excellent dielectric substrate for graphene, molybdenum disulfide and many other 2D nanomaterials based electronic and photonic devices. To optimize the performance of these 2D devices, it is essential to understand the dielectric screening properties of BN nanosheets as a function of the thickness. Here, electric force microscopy along with theoretical calculations based on both state-of-the-art first-principles calculations with van der Waals interactions under consideration and non-linear Thomas-Fermi theory models are used to investigate the dielectric screening in high-quality BN nanosheets of different thicknesses. It is found that atomically thin BN nanosheets are less effective in electric field screening, but the screening capability of BN shows a relatively weak dependence on the layer thickness.

cond-mat.mtrl-sci↗