arXiv subjects

Aires Ferreira

Publications and source records attributed to Aires Ferreira.

At least 37 records · Page 2Linked to original sources

arXiv2022

Plasmon-induced hot carriers from interband and intraband transitions in large noble metal nanoparticles

Hot electrons generated from the decay of localized surface plasmons in metallic nanostructures have the potential to transform photocatalysis, photodetection and other optoelectronic applications. However, the understanding of hot-carrier generation in realistic nanostructures, in particular the relative importance of interband and intraband transitions, remains incomplete. Here we report theoretical predictions of hot-carrier generation rates in spherical nanoparticles of the noble metals silver, gold and copper with diameters up to 30 nanometers obtained from a novel atomistic linear-scaling approach. As the nanoparticle size increases the relative importance of interband transitions from d-bands to sp-bands relative to surface-enabled sp-band to sp-band transitions increases. We find that the hot-hole generation rate is characterized by a peak at the onset of the d-bands, while the position of the corresponding peak in the hot-electron distribution can be controlled through the illumination frequency. In contrast, intraband transitions give rise to hot electrons, but relatively cold holes. Importantly, increasing the dielectric constant of the environment removes hot carriers generated from interband transitions, while increasing the number of hot carriers from intraband transitions. The insights resulting from our work enable the design of nanoparticles for specific hot-carrier applications through their material composition, size and dielectric environment.

cond-mat.mtrl-sci↗

arXiv2021

Theory of spin-charge-coupled transport in proximitized graphene: An SO(5) algebraic approach

Establishing the conditions under which orbital, spin and lattice-pseudospin degrees of freedom are mutually coupled in realistic nonequilibrium conditions is a major goal in the emergent field of graphene spintronics. Here, we use linear-response theory to obtain a unified microscopic description of spin dynamics and coupled spin-charge transport in graphene with an interface-induced Bychkov-Rashba effect. Our method makes use of an SO(5) extension of the familiar inverse-diffuson approach to obtain a quantum kinetic equation for the single-particle density matrix that treats spin and pseudospin on equal footing and is valid for arbitrary external perturbations. As an application of the formalism, we derive a complete set of drift-diffusion equations for proximitized graphene with scalar impurities in the presence of electric and spin-injection fields which vary slowly in space and time. Our approach is amenable to a wide variety of generalizations, including the study of coupled spin-charge dynamics in layered materials with strong spin-valley coupling and spin-orbit torques in van der Waals heterostructures.

cond-mat.mes-hall↗

arXiv2021

Direct Visualization of Native Defects in Graphite and Their Effect on the Electronic Properties of Bernal-Stacked Bilayer Graphene

Graphite crystals used to prepare graphene-based heterostructures are generally assumed to be defect free. We report here scanning tunneling microscopy results that show graphite commonly used to prepare graphene devices can contain a significant amount of native defects. Extensive scanning of the surface allows us to determine the concentration of native defects to be 6.6$\times$10$^8$ cm$^{-2}$. We further study the effects of these native defects on the electronic properties of Bernal-stacked bilayer graphene. We observe gate-dependent intravalley scattering and successfully compare our experimental results to T-matrix-based calculations, revealing a clear carrier density dependence in the distribution of the scattering vectors. We also present a technique for evaluating the spatial distribution of short-scale scattering. A theoretical analysis based on the Boltzmann transport equation predicts that the dilute native defects identified here are an important extrinsic source of scattering, ultimately setting the mobility at low temperatures.

cond-mat.mes-hall↗

arXiv2021

Spin Hall and inverse spin galvanic effects in graphene with strong interfacial spin-orbit coupling: a quasi-classical Green's function approach

van der Waals heterostructures assembled from atomically thin crystals are ideal model systems to study spin-orbital coupled transport because they exhibit a strong interplay between spin, lattice and valley degrees of freedom that can be manipulated by strain, electric bias and proximity effects. The recently predicted spin-helical regime in graphene on transition metal dichalcogenides, in which spin and pseudospin degrees of freedom are locked together [M. Offidani et al. Phys. Rev. Lett. 119, 196801 (2017)], suggests their potential application in spintronics. Here, by deriving an Eilenberger equation for the quasiclassical Green's function of two-dimensional Dirac fermions in the presence of} spin-orbit coupling\textcolor{black}{{} (SOC) and scalar disorder, we obtain analytical expressions for the dc spin galvanic susceptibility and spin Hall conductivity in the spin-helical regime. Our results disclose a sign change in the spin Hall angle (SHA) when the Fermi energy relative to the Dirac point matches the Bychkov-Rashba energy scale, irrespective of the magnitude of the spin-valley interaction imprinted on the graphene layer. The behavior of the SHA is connected to a reversal of the total internal angular momentum of Bloch electrons that reflects the spin-pseudospin entanglement induced by SOC. We also show that the charge-spin conversion reaches a maximum when the Fermi level lies at the edge of the spin-minority band in agreement with previous findings. Both features are fingerprints of spin-helical Dirac fermions and suggest a direct way to estimate the strength of proximity-induced SOC from transport data. The relevance of these findings for interpreting recent spin-charge conversion measurements in nonlocal spin-valve geometry is also discussed.

cond-mat.mes-hall↗

arXiv2021

Effect of proximity-induced spin-orbit coupling in graphene mesoscopic billiards

Van der Waals heterostructures based on two-dimensional materials have recently become a very active topic of research in spintronics, both aiming at a fundamental description of spin dephasing processes in nanostructures and as a potential element in spin-based information processing schemes. Here, we theoretically investigate the magnetoconductance of mesoscopic devices built from graphene proximity-coupled to a high spin-orbit coupling material. Through numerically exact tight-binding simulations, we show that the interfacial breaking of inversion symmetry generates robust weak antilocalization even when the $z\rightarrow -z$ symmetric spin-orbit coupling in the quantum dot dominates over the Bychkov--Rashba interaction. Our findings are in interpreted on the light of random matrix theory, which links the observed behavior of quantum interference corrections to a transition from circular-orthogonal to circular-sympletic ensemble.

cond-mat.mes-hall↗

arXiv2021

Breakdown of universality in three-dimensional Dirac semimetals with random impurities

Dirac-Weyl semimetals are unique three-dimensional (3D) phases of matter with gapless electrons and novel electrodynamic properties believed to be robust against weak perturbations. Here, we unveil the crucial influence of the disorder statistics and impurity diversity in the stability of incompressible electrons in 3D semimetals. Focusing on the critical role played by rare impurity configurations, we show that the abundance of low-energy resonances in the presence of diluted random potential wells endows rare localized zero-energy modes with statistical significance, thus lifting the nodal density of states. The strong nonperturbative effect here reported converts the 3D Dirac-Weyl semimetal into a compressible metal even at the lowest impurity densities. Our analytical results are validated by high-resolution real-space simulations in record-large 3D lattices with up to 536 000 000 orbitals.

cond-mat.mes-hall↗

arXiv2020

Skew-scattering-induced giant antidamping spin-orbit torques: Collinear and out-of-plane Edelstein effects at two-dimensional material/ferromagnet interfaces

Heavy metal/ferromagnet interfaces feature emergent spin-orbit effects absent in the bulk materials. Because of their inherent strong coupling between spin, charge and orbital degrees of freedom, such systems provide a platform for technologically sought-after spin-orbit torques (SOTs). However, the microscopic origin of purely interfacial antidamping SOT, especially in the ultimate atomically thin limit, has proven elusive. Here, using two-dimensional (2D) van der Waals materials as a testbed for interfacial phenomena, we address this problem by means of a microscopic framework accounting for band structure effects and impurity scattering on equal footing and nonperturbatively. A number of unconventional and measurable effects are predicted, the most remarkable of which is a giant enhancement of antidamping SOT in the dilute disorder limit induced by a robust skew scattering mechanism, which is operative in realistic interfaces and does not require magnetic impurities. The newly unveiled skew scattering mechanism activates rich semiclassical spin-charge conversion effects that have gone unnoticed in the literature, including a collinear Edelstein effect with nonequilibrium spin polarization aligned with the direction of the applied current.

cond-mat.mes-hall↗

arXiv2020

Gate-Tunable Reversible Rashba-Edelstein Effect in a Few-Layer Graphene/2H-TaS2 Heterostructure at Room Temperature

We report the observation of current-induced spin polarization, the Rashba-Edelstein effect (REE), and its Onsager reciprocal phenomenon, the spin galvanic effect (SGE), in a few-layer graphene/2H-TaS2 heterostructure at room temperature. Spin-sensitive electrical measurements unveil full spin-polarization reversal by an applied gate voltage. The observed gate-tunable charge-to-spin conversion is explained by the ideal work function mismatch between 2H-TaS2 and graphene, which allows strong interface-induced Bychkov-Rashba interaction with a spin-gap reaching 70 meV, while keeping the Dirac nature of the spectrum intact across electron and hole sectors. The reversible electrical generation and control of the nonequilibrium spin polarization vector, not previously observed in a nonmagnetic material, are elegant manifestations of emergent 2D Dirac fermions with robust spin-helical structure. Our experimental findings, supported by first-principles relativistic electronic structure and transport calculations, demonstrate a route to design low-power spin-logic circuits from layered materials.

cond-mat.mes-hall↗

arXiv2020

KITE: high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures

We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N~10^10). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimised for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centers, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions.

cond-mat.mes-hall↗

arXiv2020

Unambiguous Electrical Detection of Spin-Charge Conversion in Lateral Spin-Valves

Efficient detection of spin-charge conversion is crucial for advancing our understanding of emergent phenomena in spin-orbit-coupled nanostructures. Here, we provide proof of principle of an electrical detection scheme of spin-charge conversion that enables full disentanglement of competing spin-orbit coupling transport phenomena in diffusive lateral channels i.e. the inverse spin Hall effect (ISHE) and the spin galvanic effect (SGE). A suitable detection geometry in an applied oblique magnetic field is shown to provide direct access to spin-charge transport coefficients through a simple symmetry analysis of the output non-local resistance. The scheme is robust against tilting of the spin-injector magnetization, disorder and spurious non-spin related contributions to the non-local signal, and can be used to probe spin-charge conversion effects in both spin-valve and hybrid optospintronic devices.

cond-mat.mes-hall↗

arXiv2019

Theory of Spin Injection in Two-dimensional Metals with Proximity-Induced Spin-Orbit Coupling

Spin injection is a powerful experimental probe into a wealth of nonequilibrium spin-dependent phenomena displayed by materials with spin-orbit coupling (SOC). Here, we develop a theory of coupled spin-charge diffusive transport in two-dimensional spin-valve devices. The theory describes a realistic proximity-induced SOC with both spatially uniform and random components of the SOC due to adatoms and imperfections, and applies to the two dimensional electron gases found in two-dimensional materials and van der Walls heterostructures. The various charge-to-spin conversion mechanisms known to be present in diffusive metals, including the spin Hall effect and several mechanisms contributing current-induced spin polarization are accounted for. Our analysis shows that the dominant conversion mechanisms can be discerned by analyzing the nonlocal resistance of the spin-valve for different polarizations of the injected spins and as a function of the applied in-plane magnetic field.

cond-mat.mes-hall↗

arXiv2018

Anomalous Hall effect in 2D Dirac materials

We present a unified theory of charge carrier transport in 2D Dirac systems with broken mirror inversion and time-reversal symmetries (e.g., as realized in ferromagnetic graphene). We find that the entanglement between spin and pseudospin SU(2) degrees of freedom stemming from spin-orbit effects leads to a distinctive gate voltage dependence (change of sign) of the anomalous Hall conductivity approaching the topological gap, which remains robust against impurity scattering and thus is a smoking gun for magnetized 2D Dirac fermions. Furthermore, we unveil a robust skew scattering mechanism, modulated by the spin texture of the energy bands, which causes a net spin accumulation at the sample boundaries even for spin-transparent disorder. The newly unveiled extrinsic spin Hall effect is readily tunable by a gate voltage and opens novel opportunities for the control of spin currents in 2D ferromagnetic materials.

cond-mat.mes-hall↗

arXiv2018

Impact of complex adatom-induced interactions on quantum spin Hall phases

Adsorbate engineering offers a seemingly simple approach to tailor spin-orbit interactions in atomically thin materials and thus to unlock the much sought-after topological insulating phases in two dimensions. However, the observation of an Anderson topological transition induced by heavy adatoms has proved extremely challenging despite substantial experimental efforts. Here, we present a multi-scale approach combining advanced first-principles methods and accurate single-electron descriptions of adatom-host interactions using graphene as a prototypical system. Our study reveals a surprisingly complex structure in the interactions mediated by random adatoms, including hitherto neglected hopping processes leading to strong valley mixing. We argue that the unexpected intervalley scattering strongly impacts the ground state at low adatom coverage, which would provide a compelling explanation for the absence of a topological gap in recent experimental reports. Our conjecture is confirmed by real-space Chern number calculations and large-scale quantum transport simulations in disordered samples. This resolves an important controversy and suggests that a detectable topological gap can be achieved by engineering the spatial range of spin-orbit interactions.

cond-mat.mes-hall↗

arXiv2018

Microscopic Theory of Spin Relaxation Anisotropy in Graphene with Proximity-Induced Spin-Orbit Coupling

Inducing sizable spin--orbit interactions in graphene by proximity effect is establishing as a successful route to harnessing two-dimensional Dirac fermions for spintronics. Semiconducting transition metal dichalcogenides (TMDs) are an ideal complement to graphene because of their strong intrinsic spin--orbit coupling (SOC) and spin/valley-selective light absorption, which allows all-optical spin injection into graphene. In this study, we present a microscopic theory of spin dynamics in weakly disordered graphene samples subject to uniform proximity-induced SOC as realized in graphene/TMD bilayers. A time-dependent perturbative treatment is employed to derive spin Bloch equations governing the spin dynamics at high electronic density. Various scenarios are predicted, depending on a delicate competition between interface-induced Bychkov-Rashba and spin--valley (Zeeman-type) interactions and the ratio of intra- to inter-valley scattering rates. For weak SOC compared to the disorder-induced quasiparticle broadening, the anisotropy ratio of out-of-plane to in-plane spin lifetimes $ζ=τ_{s}^{\perp}/τ_{s}^{\parallel}$ agrees qualitatively with a toy model of spins in a weak fluctuating SOC field recently proposed by Cummings and co-workers [PRL 119, 206601 (2017)]. In the opposite regime of well-resolved SOC, qualitatively different formulae are obtained, which can be tested in ultra-clean heterostructures characterized by uniform proximity-induced SOC in the graphene layer.

cond-mat.mes-hall↗

arXiv2018

Microscopic linear response theory of spin relaxation and relativistic transport phenomena in graphene

We present a unified theoretical framework for the study of spin dynamics and relativistic transport phenomena in disordered two-dimensional Dirac systems with pseudospin-spin coupling. The formalism is applied to the paradigmatic case of graphene with uniform Bychkov-Rashba interaction and shown to capture spin relaxation processes and associated charge-to-spin interconversion phenomena in response to generic external perturbations, including spin density fluctuations and electric fields. A controlled diagrammatic evaluation of the generalized spin susceptibility in the diffusive regime of weak spin-orbit interaction allows us to show that the spin and momentum lifetimes satisfy the standard Dyakonov-Perel relation for both weak (Gaussian) and resonant (unitary) nonmagnetic disorder. Finally, we demonstrate that the spin relaxation rate can be derived in the zero-frequency limit by exploiting the SU(2) covariant conservation laws for the spin observables. Our results set the stage for a fully quantum-mechanical description of spin relaxation in both pristine graphene samples with weak spin-orbit fields and in graphene heterostructures with enhanced spin-orbital effects currently attracting much attention.

cond-mat.mes-hall↗

arXiv2018

Shubnikov-de Haas oscillations in the anomalous Hall conductivity of Chern insulators

The Haldane model on a honeycomb lattice is a paradigmatic example of a system featuring quantized Hall conductivity in the absence of an external magnetic field, that is, a quantum anomalous Hall effect. Recent theoretical work predicted that the anomalous Hall conductivity of massive Dirac fermions can display Shubnikov-de Haas (SdH) oscillations, which could be observed in topological insulators and honeycomb layers with strong spin--orbit coupling. Here, we investigate the electronic transport properties of Chern insulators subject to high magnetic fields by means of accurate spectral expansions of lattice Green's functions. We find that the anomalous component of the Hall conductivity displays visible SdH oscillations at low temperature. \textcolor{black}{The effect is shown to result from the modulation of the next-nearest neighbour flux accumulation due to the Haldane term,} which removes the electron--hole symmetry from the Landau spectrum. To support our numerical findings, we derive a long-wavelength description beyond the linear ('Dirac cone') approximation. Finally, we discuss the dependence of the energy spectra shift for reversed magnetic fields with the topological gap and the lattice bandwidth.

cond-mat.mes-hall↗

arXiv2018

Crystal-field effects in graphene with interface-induced spin-orbit coupling

We consider theoretically the influence of crystalline fields on the electronic structure of graphene placed on a layered material with reduced symmetry and large spin-orbit coupling (SOC). We use a perturbative procedure combined with the Slater-Koster method to derive the low-energy effective Hamiltonian around the $K$ points and estimate the magnitude of the effective couplings. Two simple models for the envisaged graphene-substrate hybrid bilayer are considered, in which the relevant atomic orbitals hybridize with either top or hollow sites of the graphene honeycomb lattice. In both cases, the interlayer coupling to a crystal-field-split substrate is found to generate highly anisotropic proximity spin-orbit interactions, including in-plane 'spin-valley' coupling. Interestingly, when an anisotropic intrinsic-type SOC becomes sizeable, the bilayer system is effectively a quantum spin Hall insulator characterized by in-plane helical edge states robust against Bychkov-Rashba effect. Finally, we discuss the type of substrate required to achieve anisotropic proximity-induced SOC and suggest possible candidates to further explore crystal field effects in graphene-based heterostructures.

cond-mat.mes-hall↗

arXiv2017

Optimal charge-to-spin conversion in graphene on transition metal dichalcogenides

When graphene is placed on a monolayer of semiconducting transition metal dichalcogenide (TMD) its band structure develops rich spin textures due to proximity spin-orbital effects with interfacial breaking of inversion symmetry. In this work, we show that the characteristic spin winding of low-energy states in graphene on TMD monolayer enables current-driven spin polarization known as the inverse spin galvanic effect (ISGE). By introducing a proper figure of merit, we quantify the efficiency of charge-to-spin conversion and show it is close to unity when the Fermi level approaches the spin minority band. Remarkably, at high electronic density, even though sub-bands with opposite spin helicities are occupied, the efficiency decays only algebraically. The giant ISGE predicted for graphene on TMD monolayer is robust against disorder and remains large at room temperature.

cond-mat.mes-hall↗