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Vitor M. Pereira

Publications and source records attributed to Vitor M. Pereira.

At least 19 recordsLinked to original sources

Low-symmetry topological materials for large charge-to-spin interconversion: The case of transition metal dichalcogenide monolayers

The spin polarization induced by the spin Hall effect (SHE) in thin films typically points out of the plane. This is rooted on the specific symmetries of traditionally studied systems, not in a fundamental constraint. Recently, experiments on few-layer ${\rm MoTe}_2$ and ${\rm WTe}_2$ showed that the reduced symmetry of these strong spin-orbit coupling materials enables a new form of {\it canted} spin Hall effect, characterized by concurrent in-plane and out-of-plane spin polarizations. Here, through quantum transport calculations on realistic device geometries, including disorder, we predict a very large gate-tunable SHE figure of merit $λ_sθ_{xy}\sim 1\text{--}50$ nm in ${\rm MoTe}_2$ and ${\rm WTe}_2$ monolayers that significantly exceeds values of conventional SHE materials. This stems from a concurrent long spin diffusion length ($λ_s$) and charge-to-spin interconversion efficiency as large as $θ_{xy} \approx 80$\%, originating from momentum-invariant (persistent) spin textures together with large spin Berry curvature along the Fermi contour, respectively. Generalization to other materials and specific guidelines for unambiguous experimental confirmation are proposed, paving the way towards exploiting such phenomena in spintronic devices. These findings vividly emphasize how crystal symmetry and electronic topology can govern the intrinsic SHE and spin relaxation, and how they may be exploited to broaden the range and efficiency of spintronic materials and functionalities.

cond-mat.mes-hall

Expeditious computation of nonlinear optical properties of arbitrary order with native electronic interactions in the time domain

We adapted a recently proposed framework to characterize the optical response of interacting electrons in solids in order to expedite its computation without compromise in accuracy at the microscopic level. Our formulation is based on reliable parameterizations of Hamiltonians and Coulomb interactions, which allows economy and flexibility in obtaining response functions. It is suited to computing the optical response to fields of arbitrary temporal shape and strength, to arbitrary order in the field, and natively accounts for excitonic effects. We demonstrate the approach by computing the frequency-dependent susceptibilities of MoS2 and hexagonal BN monolayers up to the third-harmonic. Grounded on a generic non-equilibrium many-body perturbation theory, this framework allows extensions to handle generic interaction models or to describe electronic processes taking place at ultrafast time scales.

cond-mat.mtrl-sci

Canted Spin Texture and Quantum Spin Hall Effect in WTe2

We report an unconventional quantum spin Hall phase in the monolayer T$_\text{d}$-WTe$_2$, which exhibits hitherto unknown features in other topological materials. The low-symmetry of the structure induces a canted spin texture in the $yz$ plane, which dictates the spin polarization of topologically protected boundary states. Additionally, the spin Hall conductivity gets quantized ($2e^2/h$) with a spin quantization axis parallel to the canting direction. These findings are based on large-scale quantum simulations of the spin Hall conductivity tensor and nonlocal resistances in multi-probe geometries using a realistic tight-binding model elaborated from first-principle methods. The observation of this canted quantum spin Hall effect, related to the formation of topological edge states with nontrivial spin polarization, demands for specific experimental design and suggests interesting alternatives for manipulating spin information in topological materials.

cond-mat.mes-hall

Spin-orbit torque magnetization switching in MoTe2/permalloy heterostructures

The ability to switch magnetic elements by spin-orbit-induced torques has recently attracted much attention for a path towards high-performance, non-volatile memories with low power consumption. Realizing efficient spin-orbit-based switching requires harnessing both new materials and novel physics to obtain high charge-to-spin conversion efficiencies, thus making the choice of spin source crucial. Here we report the observation of spin-orbit torque switching in bilayers consisting of a semimetallic film of 1T'-MoTe2 adjacent to permalloy. Deterministic switching is achieved without external magnetic fields at room temperature, and the switching occurs with currents one order of magnitude smaller than those typical in devices using the best-performing heavy metals. The thickness dependence can be understood if the interfacial spin-orbit contribution is considered in addition to the bulk spin Hall effect. Further threefold reduction in the switching current is demonstrated with resort to dumbbell-shaped magnetic elements. These findings foretell exciting prospects of using MoTe2 for low-power semimetal material based spin devices.

cond-mat.mtrl-sci

Correlated states of a triangular net of coupled quantum wires: Implications for the phase diagram of marginally twisted bilayer graphene

We explore in detail the electronic phases of a system consisting of three non-colinear arrays of coupled quantum wires, each rotated 120 degrees with respect to the next. A perturbative renormalization-group analysis reveals that multiple correlated states can be stabilized: a $s$-wave or $d \pm id$ superconductor, a charge density wave insulator, a two-dimensional Fermi liquid, and a 2D Luttinger liquid (also known as smectic metal or sliding Luttinger liquid). The model provides an effective description of electronic interactions in small-angle twisted bilayer graphene and we discuss its implications in relation to the recent observation of correlated and superconducting groundstates near commensurate densities in magic-angle twisted samples, as well as the ``strange metal'' behavior at finite temperatures as a natural outcome of the 2D Luttinger liquid phase.

cond-mat.str-el

Anomalous quantum metal in a 2D crystalline superconductor with intrinsic electronic non-uniformity

The details of the superconducting to quantum metal transition (SQMT) at T=0 are an open problem that invokes much interest in the nature of this exotic and unexpected ground state1-3. However, the SQMT was not yet investigated in a crystalline 2D superconductor with coexisting and fluctuating quantum orders. Here, we report the observation of a SQMT in 2D ion-gel gated 1T-TiSe24, driven by magnetic field. A field-induced crossover between Bose quantum metal and vortex quantum creeping with increasing field is observed. We discuss the interplay between superconducting and CDW fluctuations (discommensurations) and their relation to the anomalous quantum metal (AQM) phase. From our findings, gate-tunable 1T-TiSe2 emerges as a privileged platform to scrutinize, in a controlled way, the details of the SQMT, the role of coexisting fluctuating orders and, ultimately, obtain a deeper understanding of the fate of superconductivity in strictly two-dimensional crystals near zero temperature.

cond-mat.supr-con

Nonlinear magnetotransport shaped by Fermi surface topology and convexity in WTe2

The nature of Fermi surface defines the physical properties of conductors and many physical phenomena can be traced to its shape. Although the recent discovery of a current-dependent nonlinear magnetoresistance in spin-polarized non-magnetic materials has attracted considerable attention in spintronics, correlations between this phenomenon and the underlying fermiology remain unexplored. Here, we report the observation of nonlinear magnetoresistance at room temperature in a semimetal WTe2, with an interesting temperature-driven inversion. Theoretical calculations reproduce the nonlinear transport measurements and allow us to attribute the inversion to temperature-induced changes in Fermi surface convexity. We also report a large anisotropy of nonlinear magnetoresistance in WTe2, due to its low symmetry of Fermi surfaces. The good agreement between experiments and theoretical modeling reveals the critical role of Fermi surface topology and convexity on the nonlinear magneto-response. These results lay a new path to explore ramifications of distinct fermiology for nonlinear transport in condensed-matter.

cond-mat.mtrl-sci

Discommensuration-enhanced superconductivity in the charge density wave phases of transition-metal dichalcogenides

We introduce a McMillan-Ginzburg-Landau theory to describe the cooperative coexistence of charge-density and superconducting order in two-dimensional crystals. With a free-energy that explicitly accounts for the competition between commensurate and incommensurate ground states, we are able to map the transition between these phases and monitor the development of discommensurations in the near-commensurate regime. Attributing the enhancement of superconducting order to density-wave fluctuations, we propose a coupling scheme that yields a phase diagram in qualitative agreement with experiments in conducting transition metal dichalcogenides. The model predicts the development of non-uniform superconductivity similar to that arising from a pair-density wave, with a spatial texture driven by the underlying charge-density wave fluctuations.

cond-mat.mes-hall

Antiferromagnetism and chiral d-wave superconductivity from an effective $t-J-D$ model for twisted bilayer graphene

Starting from the strong-coupling limit of an extended Hubbard model, we develop a spin-fermion theory to study the insulating phase and pairing symmetry of the superconducting phase in twisted bilayer graphene. Assuming that the insulating phase is an anti-ferromagnetic insulator, we show that fluctuations of the anti-ferromagnetic order in the conducting phase can mediate superconducting pairing. Using a self-consistent mean-field analysis, we find that the pairing wave function has a chiral d-wave symmetry. Consistent with this observation, we show explicitly the existence of chiral Majorana edge modes by diagonalizing our proposed Hamiltonian on a finite-sized system. These results establish twisted bilayer graphene as a promising platform to realize topological superconductivity.

cond-mat.supr-con

Characterization of the second- and third-harmonic optical susceptibilities of atomically thin tungsten diselenide

We report the first detailed characterization of the sheet third-harmonic optical susceptibility, $χ_{s}^{(3)}$, of tungsten diselenide (WSe$_{2}$). With a home-built confocal microscope setup developed to study harmonics generation, we map the second- and third-harmonic intensities as a function of position in the sample, pump power and polarization angle, for single and few layers flakes of WSe$_{2}$. We register a value of $|χ_{s}^{(3)}| \approx$ 0.91 $\times$ 10$^{-28}$ m$^{3}$ V$^{-2}$ at a fundamental excitation frequency of $\hbarω$ = 0.8 eV, which is comparable in magnitude to the third-harmonic susceptibility of other group-VI transition metal dichalcogenides. The simultaneously recorded second-harmonic susceptibility is found to be $|χ_{s}^{(2)}| \approx$ 0.70 $\times$ 10$^{-19}$ m$^{2}$ V$^{-1}$ in very good agreement on the order of magnitude with recent reports for WSe$_{2}$, which asserts the robustness of our values for $|χ_{s}^{(3)}|$.

physics.optics

Electrons imitating light: Frustrated supercritical collapse in charged arrays on graphene

The photon-like electronic dispersion of graphene bestows its charge carriers with unusual confinement properties that depend strongly on the geometry and strength of the surrounding potential. Here we report bottom-up synthesis of atomically-precise one-dimensional (1D) arrays of point charges aimed at exploring supercritical confinement of carriers in graphene for new geometries. The arrays were synthesized by arranging F4TCNQ molecules into a 1D lattice on back-gated graphene devices, allowing precise tuning of both the molecular charge state and the array periodicity. Dilute arrays of ionized F4TCNQ molecules are seen to behave like isolated subcritical charges but dense arrays show emergent supercriticality. In contrast to compact supercritical clusters, extended 1D charge arrays exhibit both supercritical and subcritical characteristics and belong to a new physical regime termed frustrated supercritical collapse. Here carriers in the far-field are attracted by a supercritical charge distribution, but have their fall to the center frustrated by subcritical potentials in the near-field, similar to the trapping of light by a dense cluster of stars in general relativity.

cond-mat.mes-hall

Reproduction of the charge density wave phase diagram in $1T$-$\mathrm{TiSe}_2$ exposes its excitonic character

Recent experiments suggest that excitonic degrees of freedom play an important role in precipitating the charge density wave (CDW) transition in $1T$-$\mathrm{TiSe}_2$. Through systematic calculations of the electronic and phonon spectrum based on density functional perturbation theory, we show that the predicted critical doping of the CDW phase overshoots the experimental value by 1 order of magnitude. In contrast, an independent self-consistent many-body calculation of the excitonic order parameter and renormalized band structure is able to capture the experimental phase diagram in extremely good qualitative and quantitative agreement. This demonstrates that electron-electron interactions and the excitonic instability arising from direct electron-hole coupling are pivotal to accurately describe the nature of the CDW in this system. This has important implications to understand the emergence of superconductivity within the CDW phase of this and related systems.

cond-mat.mes-hall

Reply to "Comment on 'Piezoelectricity in planar boron nitride via a geometric phase'"

In relation to our original paper [M. Droth et al., Phys. Rev. B 94, 075404 (2016)], the Comment by Li et al. [Phys. Rev. B 98, 167403 (2018)] claims to have identified a "mistake in constructing the adiabatic process of the piezoelectricity". More specifically, they write that in our original work "the erroneous usage of the polarization difference formula in Eq. (4) leads to an invalid analytical expression of piezoelectric constant in Eq. (12) of Reference 1". We explain below why these and other minor claims in the Comment are unwarranted, and why we maintain that our result is correct and physically sound.

cond-mat.mes-hall

Excitonic structure of the optical conductivity in MoS$_2$ monolayers

We investigate the excitonic spectrum of MoS$_2$ monolayers and calculate its optical absorption properties over a wide range of energies. Our approach takes into account the anomalous screening in two dimensions and the presence of a substrate, both cast by a suitable effective Keldysh potential. We solve the Bethe-Salpeter equation using as a basis a Slater-Koster tight-binding model parameterized to fit ab initio MoS$_2$ band structure calculations. The resulting optical conductivity is in good quantitative agreement with existing measurements up to ultraviolet energies. We establish that the electronic contributions to the C excitons arise not from states in the vicinity of the $Γ$ point, but from a set of $k$-points over extended portions of the Brillouin zone. Our results reinforce the advantages of approaches based on effective models to expeditiously explore the properties and tunability of excitons in TMD systems.

cond-mat.mes-hall

Topological crystalline insulator states in the Ca$_2$As family

Topological crystalline insulators (TCI) are insulating electronic phases of matter with nontrivial topology originating from crystalline symmetries. Recent theoretical advances have provided powerful guidelines to search for TCIs in real materials. Using density functional theory, we identify a class of new TCI states in the tetragonal lattice of the Ca$_2$As material family. On both top and side surfaces, we observe topological surface states protected independently by rotational and mirror symmetries. We show that a particular lattice distortion can single out the newly proposed topological protection by the rotational symmetry. As a result, the Dirac points of the topological surface states are moved to generic locations in momentum space away from any high symmetry lines. Such topological surface states have not been seen before. Moreover, the other family members, including Ca$_2$Sb, Ca$_2$Bi and Sr$_2$Sb, feature different topological surface states due to their distinct topological invariants. We thus further propose topological phase transitions in the pseudo-binary systems such as (Ca$_{1-x}$Sr$_x$)$_2$As and Ca$_2$As$_x$Sb$_{1-x}$. Our work reveals rich and exotic TCI physics across the Ca$_2$As family of materials, and suggests the feasibility of materials database search methods to discover new TCIs.

cond-mat.mtrl-sci

Quantized transport, strain-induced perfectly conducting modes and valley filtering on shape-optimized graphene Corbino devices

The extreme mechanical resilience of graphene and the peculiar coupling it hosts between lattice and electronic degrees of freedom have spawned a strong impetus towards strain-engineered graphene where, on the one hand, strain augments the richness of its phenomenology and makes possible new concepts for electronic devices and, on the other hand, new and extreme physics might take place. Here, we demonstrate that the shape of substrates supporting graphene sheets can be optimized for approachable experiments where strain-induced pseudomagnetic fields (PMF) can be tailored by pressure for directionally selective electronic transmission and pinching-off of current flow down to the quantum channel limit. The Corbino-type layout explored here furthermore allows filtering of charge carriers according to valley and current direction, which can be used to inject or collect valley-polarized currents, thus realizing one of the basic elements required for valleytronics. Our results are based on a framework developed to realistically determine the combination of strain, external parameters, and geometry optimally compatible with the target spatial profile of a desired physical property --- the PMF in this case. Characteristic conductance profiles are analyzed through quantum transport calculations on large graphene devices having the optimal shape.

cond-mat.mes-hall

Stable charge density wave phase in a 1T-TiSe$_2$ monolayer

Charge density wave (CDW) phases are symmetry-reduced states of matter in which a periodic modulation of the electronic charge frequently leads to drastic changes of the electronic spectrum, including the emergence of energy gaps. We analyze the CDW state in a 1T-TiSe$_2$ monolayer within a density functional theory framework and show that, similarly to its bulk counterpart, the monolayer is unstable towards a commensurate $2{\times}2$ periodic lattice distortion (PLD) and CDW at low temperatures. Analysis of the electron and phonon spectrum establishes the PLD as the stable $T=0$ K configuration with a narrow bandgap, whereas the undistorted and semi-metalic state is stable only above a threshold temperature. The lattice distortions as well as the unfolded and reconstructed band structure in the CDW phase agree well with experimental results. We also address evidence in our results for the role of electron-electron interactions in the CDW instability of 1T-TiSe$_2$ monolayers.

cond-mat.mes-hall

Charge Density Waves and the Hidden Nesting of Purple Bronze K$_{0.9}$Mo$_6$O$_{17}$

We introduce the first multiorbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab initio band structure, and with only the overall scale of the interactions as the sole adjustable parameter, we find that a self-consistent Hartree-Fock solution reproduces extremely well the experimental behavior of the charge density wave (CDW) order parameter in the full range $0<T<T_{\text{c}}$, as well as the precise reciprocal space locations of the partial gap opening and Fermi arc development. The interaction strengths extracted from fitting to the experimental CDW gap are consistent with those derived from an independent Stoner-type analysis.

cond-mat.str-el