arXiv subjects

Armando Pezo

Publications and source records attributed to Armando Pezo.

17 recordsLinked to original sources

arXiv2026

Thickness-Dependent Spintronic Terahertz Emission in MBE-Grown PtTe$_2$: From Semiconductor to Type-II Dirac Semimetal

Spintronic terahertz (THz) emitters have established themselves as among the most practical broadband THz sources available, yet their performance remains fundamentally limited by the spin Hall conductivity of the nonmagnetic conversion layer - a quantity that is fixed once the material is chosen. Here, we demonstrate that in PtTe$_2$, a type-II Dirac semimetal within the transition metal dichalcogenide family, this limitation can be circumvented by exploiting the dramatic thickness-driven electronic phase evolution of the material itself. Using molecular beam epitaxy to grow PtTe$_2$ films with single-monolayer precision from 1 to 20 ML, we show that the spintronic THz emission tracks the underlying electronic phase diagram directly: it is absent in the single-layer semiconducting phase, turns on sharply at the semimetal transition near 2 ML, and reaches a peak amplitude six times that of an equivalent Pt reference at 10 ML, before declining at larger thicknesses due to THz reabsorption in the increasingly metallic film. This non-monotonic behavior is inconsistent with a bulk inverse spin Hall mechanism and instead reflects a multi-channel spin-to-charge conversion process in which spin-momentum-locked topological surface states and a thickness-dependent interfacial Rashba splitting both contribute and strengthen as the type-II Dirac band structure develops. First-principles calculations of the interfacial spin accumulation reproduce the experimental trend quantitatively, confirming this physical picture. These findings introduce thickness engineering of van der Waals semimetals as a new and accessible route to optimizing spintronic THz emitters and spin-orbit torques in magnetic memories (SOT-MRAMs), with direct implications for the broader class of dimensionally tunable topological materials.

cond-mat.mtrl-sci↗

arXiv2025

Spin and Orbital Rashba response in ferroelectric polarized PtSe$_2$/MoSe$_2$/LiNbO$_3$ heterostructures

Recent studies using Terahertz Time-Domain Spectroscopy (THz-TDS) with spintronic emitters as a source have revealed distinct signatures of the Rashba effect. This effect, which arises from the breaking of inversion symmetry in low-dimensional materials, has been recently investigated in CoFeB/PtSe$_2$/MoSe$_2$/LiNbO$_3$-based heterostructures [S. Massabeau et al., APL Mater. 13, 041102, 2025 ]. The observed phenomena are at the source of the generated THz far-field emission, typically through mechanisms such as spin-to-charge conversion triggered by the absorption of ultrafast optical pulses. In this work, we employ first-principles simulations to quantify the Rashba effect at PtSe$_2$/MoSe$_2$/LiNbO$_3$ interfaces, expanding the traditional understanding of spin transport by incorporating the orbital degree of freedom. Moreover, we quantify the degree of control on the THz emission depending on the polarization direction of LiNbO$_3$. In order to achieve this, we analyze the accumulation of both spin and orbital components using linear response theory, revealing distinct behaviors. These findings are crucial for a deeper understanding of the physical processes governing angular momentum-to-charge conversion and THz emission. Moreover, they may provide broader insights into various experimental outcomes, including those related to spin-orbit torque.

cond-mat.mes-hall↗

arXiv2024

Spin and Orbital Rashba effects at the Ni/HfO$_2$ interface

We predict the giant ferroelectric control of interfacial properties of Ni/HfO2, namely, (i) the magnetocrystalline anisotropy and (ii) the inverse spin and orbital Rashba effects. The reversible control of magnetic properties using electric gating is a promising route to low-energy consumption magnetic devices, including memories and logic gates. Synthetic multiferroics, composed of a ferroelectric in proximity to a magnet, stand out as a promising platform for such devices. Using a combination of $ab$ $initio$ simulations and transport calculations, we demonstrate that reversing the electric polarization modulates the interface magnetocrystalline anisotropy from in-plane to out-of-plane. This modulation compares favorably with recent reports obtained upon electromigration induced by ionic gating. In addition, we find that the current-driven spin and orbital densities at the interface can be modulated by about 50% and 30%, respectively. This giant modulation of the spin-charge and orbit-charge conversion efficiencies opens appealing avenues for voltage-controlled spin- and orbitronics devices.

cond-mat.mtrl-sci↗

arXiv2024

Adiabatic Spin and Orbital Pumping in Metallic Heterostructures

In this study, we investigate the spin and orbital densities induced by magnetization dynamics in a planar bilayer heterostructure. To do this, we employed a theory of adiabatic pumping using the Keldysh formalism and Wigner expansion. We first conduct simulations on a model system to determine the parameters that control the spin and orbital pumping into an adjacent non-magnetic metal. We conclude that, in principle, the orbital pumping can be as significant as spin pumping when the spin-orbit coupling is present in the ferromagnet. We extend the study to realistic heterostructures involving heavy metals (W, Pt, Au) and light metals (Ti, Cu) by using first-principles calculations. We demonstrate that orbital pumping is favored in metals with $d$ states close to the Fermi level, such as Ti, Pt, and W, but is quenched in materials lacking such states, such as Cu and Au. Orbital injection is also favored in materials with strong spin-orbit coupling, leading to large orbital pumping in Ni/(Pt, W) bilayers.

cond-mat.mes-hall↗

arXiv2024

Theory of spin and orbital charge conversion at the surface states of Bi_{1-x}Sb_x topological insulator

Topological insulators are quantum materials involving Time-reversal protected surface states(TSS) making them appealing candidates for the design of next generation of highly efficient spintronic devices. The very recent observation of large transient spin-charge conversion (SCC) and subsequent powerful THz emission from Co|Bi_{1-x}Sb_x bilayers clearly demonstrates such potentiality and feasibility for the near future. Amongst the exotic properties appearing in and at the surface of such quantum materials, spin-momentum locking (SML) and Rashba-Edelstein effects remain as key ingredients to effectively convert the spin degree of freedom into a charge or a voltage signal. In this work, we extend our analyses to the quantification of orbital momentum-locking and related orbital charge conversion effects in Bi_{0.85}Sb_{0.15} via orbital Rashba-Edelstein effects. In that sense, we will provide some clear theoretical and numerical insights implemented by multi-orbital and multi-layered tight-binding methods (TB) to clarify our recent experimental results obtained by THz-TDS spectroscopy.

cond-mat.mes-hall↗

arXiv2024

Orbital Kerr effect and terahertz detection via the nonlinear Hall effect

We investigate the optical response induced by a d.c. current flowing in a nonmagnetic material that lacks inversion symmetry. In this class of materials, the flowing current experiences a nonlinear Hall effect and induces a nonequilibrium orbital magnetization, even in the absence of spin-orbit coupling. As a result, an orbital-driven Kerr effect arises that can be used to probe not only the orbital magnetization but also the nonlinear Hall effect. In addition, in the long wavelength limit, the nonlinear Hall effect leads to a rectification current that can be used to detect terahertz radiation. We apply the theory to selected model systems, such as WTe$_2$ bilayer and metallic superlattices. The nonequilibrium orbital Kerr efficiencies obtained in these systems are comparable to the largest values reported experimentally in GaAs and MoS$_2$, exceeding the values reported in metals and suggesting a large terahertz current responsivity.

cond-mat.mtrl-sci↗

arXiv2024

Giant and anisotropic enhancement of spin-charge conversion in double Rashba interface graphene-based quantum system

The ever-increasing demand for efficient data storage and processing has fueled the search for novel memory devices. Spintronics offers an alternative fast and efficient solution using spin-to-charge interconversion. In this work, we demonstrate a remarkable thirty-four-fold increase in spin-to-charge current conversion when incorporating a 2D epitaxial graphene monolayer between iron and platinum layers by exploring spin-pumping on-chip devices. Furthermore, we find that the spin conversion is also anisotropic. We attribute this enhancement and anisotropy to the asymmetric Rashba contributions driven by an unbalanced spin accumulation at the differently hybridized top and bottom graphene interfaces, as highlighted by ad-hoc first-principles theory. The improvement in spin-to-charge conversion as well as its anisotropy reveals the importance of interfaces in hybrid 2D-thin film systems opening up new possibilities for engineering spin conversion in 2D materials, leading to potential advances in memory, logic applications, or unconventional computing.

cond-mat.mes-hall↗

arXiv2024

Orbital Pumping by Magnetization Dynamics in Ferromagnets

We show that dynamics of the magnetization in ferromagnets can pump the orbital angular momentum, which we denote by orbital pumping. This is the reciprocal phenomenon to the orbital torque that induces magnetization dynamics by the orbital angular momentum in non-equilibrium. The orbital pumping is analogous to the spin pumping established in spintronics but requires the spin-orbit coupling for the orbital angular momentum to interact with the magnetization. We develop a formalism that describes the generation of the orbital angular momentum by magnetization dynamics within the adiabatic perturbation theory. Based on this, we perform first-principles calculation of the orbital pumping in prototypical $3d$ ferromagnets, Fe, Co, and Ni. The results show that the ratio between the orbital pumping and the spin pumping ranges from 5 to 15 percents, being smallest in Fe and largest in Ni. This implies that ferromagnetic Ni is a good candidate for measuring the orbital pumping. Implications of our results on experiments are also discussed.

cond-mat.mes-hall↗

arXiv2023

Electronic and spin transport in Bismuthene with magnetic impurities

Topological insulators have remained as candidates for future electronic devices since their first experimental realization in the past decade. The existence of topologically protected edge states could be exploited to generate a robust platform and develop quantum computers. In this work we explore the role of magnetic impurities in the transport properties of topological insulators, in particular, we study the effect on the edge states conductivity. By means of realistic $\it{ab}$ $\it{initio}$ calculations we simulate the interaction between magnetic adatoms and topological insulators, furthermore, our main goal is to obtain the transport properties for large samples as it would be possible to localize edge states at large scales.

cond-mat.mes-hall↗

arXiv2023

Orbital Hall physics in two-dimensional Dirac materials

Orbitronics has recently emerged as a very active research topic after several proposals aiming to exploit the orbital degree of freedom for charge-free electronics. In this communication, we investigate orbital transport in selected two-dimensional systems to better understand which parameters govern the intra-atomic and inter-atomic contributions to the orbital Hall effect. We study the impact of the gap, the role of the materials' topology and the influence of the disorder on spin and orbital Hall transport. Starting from the Kane-Mele model, we describe how the orbital moment behaves depending on the material's topology and clarify the influence of the gap on the orbital Hall conductivity. We then extend the study to realistic topologically trivial and non-trivial materials, and find that the topology has little qualitative influence on the orbital Hall conductivity. In contrast, we observe that the energy dispersion has a more dramatic impact, especially in the presence of disorder. Remarkably, our results suggest that the intra-atomic orbital Hall current is more robust against scattering than the inter-atomic one, without further impact of the topological properties of the system under consideration.

cond-mat.mes-hall↗

arXiv2023

Spin-orbit torque for field-free switching in C_{3v} crystals

Spin-orbit torques in noncentrosymmetric polycrystalline magnetic heterostructures are usually described in terms of field-like and damping-like torques. However, materials with a lower symmetry point group can exhibit torques whose behavior substantially deviates from the conventional ones. In particular, based on symmetry arguments it was recently proposed that systems belonging to the C_{3v} point group display spin-orbit torques that can promote field-free switching [Liu et al. Nature Nanotechnology 16, 277 (2021)]. In the present work, we analyze the general form of the torques expected in C3v crystals using the Invariant Theory. We uncover several new components that arise from the coexistence of the three-fold rotation and mirror symmetries. Using both tight binding model and first principles simulations, we show that these unconventional torque components arise from the onset of trigonal warping of the Fermi surface and can be as large as the damping-like torque. In other words, the Fermi surface warping is a key indicator to the onset of field-free switching in low symmetry crystals.

cond-mat.mtrl-sci↗

arXiv2023

Electronic transport properties of MoS$_2$ nanoribbons embedded on butadiene solvent

Transition metal dichalcogenides (TMDCs) are promising materials for applications in nanoelectronics and correlated fields, where their metallic edge states play a fundamental role in the electronic transport. In this work, we investigate the transport properties of MoS$_2$ zigzag nanoribbons under a butadiene (C$_4$H$_6$) atmosphere, as this compound has been used to obtain MoS$_2$ flakes by exfoliation. We use density functional theory combined with non-equilibrium Green's function techniques, in a methodology contemplating disorder and different coverages. Our results indicate a strong modulation of the TMDC electronic transport properties driven by butadiene molecules anchored at their edges, producing the suppression of currents due to a backscattering process. Our results indicate a high sensitivity of the TMDC edge states. Thus, the mechanisms used to reduce the dimensionality of MoS$_2$ considerably modify its transport properties.

cond-mat.mes-hall↗

arXiv2022

Influence of the surface states on the nonlinear Hall effect in Weyl semimetals

We investigate the influence of surface states on the nonlinear Hall response of non-centrosymmetric time-reversal invariant Weyl semimetals. To do so, we perform a tomography of the Berry curvature dipole in a slab system using a minimal two-band model. We find that in the type-I phase, the nonlinear Hall response is not particularly sensitive to the presence of Fermi arcs or other trivial surface states. However, in the type-II phase, we find that these surface states contribute substantially to the Berry curvature dipole, leading to a strong thickness dependence of the nonlinear Hall response. This feature depends on the nature of the surface states and, henceforth, on the slab geometry adopted. In order to assess the validity of this scenario for realistic systems, we performed Berry curvature dipole calculations by first principles on the WTe$_2$, confirming the dramatic impact of surface states for selected slab geometries. Our results suggest that surface states, being topological or not, can contribute much more efficiently to the nonlinear Hall response than bulk states. This prediction is not limited to topological semimetals and should apply to topologically trivial non-centrosymmetric materials and heterostructures, paving the way to interfacial engineering of the nonlinear Hall effect.

cond-mat.mes-hall↗

arXiv2022

Orbital Hall effect in crystals: inter-atomic versus intra-atomic contributions

The orbital Hall effect (OHE) designates the generation of a charge-neutral flow of orbital angular momentum transverse to an initial charge current. Recent theoretical investigations suggest that transition metals display sizable OHE, encouraging experimental search along this direction. Nonetheless, most of these theories assume that the orbital moment originates from the region immediately surrounding the atom core, adopting the so-called {\it atomic center approximation}. In periodic crystals though, the contribution of the interstitial regions is crucial and can lead to a severe misestimation of the OHE. By applying the "modern theory" of orbital magnetization to the OHE, we assess the relative importance of intra-atomic and inter-atomic contributions in selected materials from first principles. We find that whereas the OHE is mostly of intra-atomic origin for wide band-gap semiconductors (e.g., MoS$_2$), the inter-atomic contribution becomes crucial in narrow band-gap semiconductors (SnTe, PbTe) and transition metals (Pt, V etc.). These predictions invalidate the atomic center approximation adopted in some of the previous works and open perspectives for the realization of efficient sources of orbital currents.

cond-mat.mes-hall↗

arXiv2021

Manipulation of Spin Transport in Graphene/Transition Metal Dichalcogenide Heterobilayers upon Twisting

Proximity effects are one of the pillars of exotic phenomena and technological applications of two dimensional materials. However, the interactions nature depends strongly on the materials involved, their crystalline symmetries, and interfacial properties. Here we used large-scale first-principle calculations to demonstrate that strain and twist-angle are efficient knobs to tailor the spin-orbit coupling in graphene transition metal dichalcogenide heterobilayers. We found that by choosing a twist-angle of 30 degrees, the spin relaxation times increase by two orders of magnitude, opening a path to improve these heterostructures spin transport capability. Moreover, we demonstrate that strain and twist angle will modify the relative values of valley-Zeeman and Rashba spin-orbit coupling, allowing to tune the system into an ideal Dirac-Rashba regime. These results enable us to envision an answer for the variability of spin-orbit coupling found in different experiments and have significant consequences for applications that depend on polycrystallinity, where grains form at different orientations.

cond-mat.mes-hall↗

arXiv2021

Disorder effects of vacancies on the electronic transport properties of realistic topological insulators nanoribbons: the case of bismuthene

The robustness of topological materials against disorder and defects is presumed but has not been demonstrated explicitly in realistic systems. In this work, we use state-of-the-art density functional theory and recursive nonequilibrium Green's functions methods to study the effect of disorder in the electronic transport of long nanoribbons, up to 157 nm, as a function of vacancy concentration. In narrow nanoribbons, even for small vacancy concentrations, defect-like localized states give rise to hybridization between the edge states erasing topological protection and enabling backscattering events. We show that the topological protection is more robust for wide nanoribbons, but surprisingly it breaks down at moderate structural disorder. Our study helps to establish some bounds on defective bismuthene nanoribbons as promising candidates for spintronic applications.

cond-mat.mes-hall↗

arXiv2020

Dual Topological Insulator Device with Disorder Robustness

Two-dimensional Na$_3$Bi is a dual topological insulator protected by time-reversal and mirror symmetry, resulting in a promising platform for devices design. However, in reality, the design of topological devices is hindered by a sensitivity against disorder and temperature. We study the topological properties of Na$_3$Bi in the presence of intrinsic defects, investigating the robustness of the edge states and the resulting transport properties. We apply a recursive Green's function technique enabling the study of disordered systems with lengths comparable to experimentally synthesized materials, in the order of micrometers. We combine our findings to propose a topological insulator device, where intrinsic defects are used to filter the response of trivial bulk states. This results in a stable conductance throughout a large range of electronic temperatures, and controllable by a perpendicular electric field. Our proposal is general, enabling the design of various dual topological insulators devices.

cond-mat.mes-hall↗