arXiv subjects

Fernando de Juan

Publications and source records attributed to Fernando de Juan.

At least 37 records · Page 2Linked to original sources

arXiv2024

Universal features of entanglement entropy in the honeycomb Hubbard model

The entanglement entropy is a unique probe to reveal universal features of strongly interacting many-body systems. In two or more dimensions these features are subtle, and detecting them numerically requires extreme precision, a notoriously difficult task. This is especially challenging in models of interacting fermions, where many such universal features have yet to be observed. In this paper we tackle this challenge by introducing a new method to compute the Rényi entanglement entropy in auxiliary-field quantum Monte Carlo simulations, where we treat the entangling region itself as a stochastic variable. We demonstrate the efficiency of this method by extracting, for the first time, universal subleading logarithmic terms in a two dimensional model of interacting fermions, focusing on the half-filled honeycomb Hubbard model at $T=0$. We detect the universal corner contribution due to gapless fermions throughout the Dirac semi-metal phase and at the Gross-Neveu-Yukawa critical point, where the latter shows a pronounced enhancement depending on the type of entangling cut. Finally, we observe the universal Goldstone mode contribution in the antiferromagnetic Mott insulating phase.

cond-mat.str-el↗

arXiv2023

Understanding the large shift photocurrent of WS$_{2}$ nanotubes: A comparative analysis with monolayers

We study the similarities and differences in the shift photocurrent contribution to the bulk photovoltaic effect between transition-metal dichalcogenide monolayers and nanotubes. Our analysis is based on density functional theory in combination with the Wannier interpolation technique for the calculation of the shift photoconductivity tensor. Our results show that for nanotube radii of practical interest $r>60$~Å, the shift photoconductivity of a single-wall nanotube is well described by that of the monolayer. Additionally, we quantify the shift photocurrent generated under realistic experimental conditions like device geometry and absorption capabilities. We show that a typical nanotube can generate a photocurrent of around 10 nA, while the monolayer only attains a maximum of 1 nA. This enhancement is mainly due to the larger conducting cross section of a nanotube in comparison to a monolayer. Finally, we discuss our results in the context of recent experimental measurements on WS$_{2}$ monolayer and nanotubes[Zhang et al., Nature 570, 349 (2019)].

cond-mat.mes-hall↗

arXiv2023

Evidence for ground state coherence in a two-dimensional Kondo lattice

Kondo lattices are ideal testbeds for the exploration of heavy-fermion quantum phases of matter. While our understanding of Kondo lattices has traditionally relied on complex bulk f-electron systems, transition metal dichalcogenide heterobilayers have recently emerged as simple, accessible and tunable 2D Kondo lattice platforms where, however, their ground state remains to be established. Here we present evidence of a coherent ground state in the 1T/1H-TaSe2 heterobilayer by means of scanning tunneling microscopy/spectroscopy at 340 mK. Our measurements reveal the existence of two symmetric electronic resonances around the Fermi energy, a hallmark of coherence in the spin lattice. Spectroscopic imaging locates both resonances at the central Ta atom of the charge density wave of the 1T phase, where the localized magnetic moment is held. Furthermore, the evolution of the electronic structure with the magnetic field reveals a non-linear increase of the energy separation between the electronic resonances. Aided by ab initio and auxiliary-fermion mean-field calculations, we demonstrate that this behavior is inconsistent with a fully screened Kondo lattice, and suggests a ground state with magnetic order mediated by conduction electrons. The manifestation of magnetic coherence in TMD-based 2D Kondo lattices enables the exploration of magnetic quantum criticality, Kondo breakdown transitions and unconventional superconductivity in the strict two-dimensional limit.

cond-mat.str-el↗

arXiv2023

Superconducting dome by tuning through a Van Hove singularity in a two-dimensional metal

Chemical substitution is a promising route for the exploration of a rich variety of doping- and/or disorder-dependent collective phenomena in low-dimensional quantum materials. Here we show that transition metal dichalcogenide alloys are ideal platforms to this purpose. In particular, we demonstrate the emergence of superconductivity in the otherwise metallic single-layer TaSe$_{2}$ by minute electron doping provided by substitutional W atoms. We investigate the temperature- and magnetic field-dependence of the superconducting state of Ta$_{1-δ}$W$_δ$Se$_2$ with electron doping ($δ$) using variable temperature (0.34 K - 4.2 K) scanning tunneling spectroscopy (STS). We unveil the emergence of a superconducting dome spanning 0.003 < $δ$ < 0.03 with a maximized critical temperature of 0.9 K, a significant increase from that of bulk TaSe$_{2}$ (T$_C$ = 0.14 K). Superconductivity emerges from an increase of the density of states (DOS) as the Fermi surface approaches a van Hove singularity due to doping. Once the singularity is reached, however, the DOS decreases with $δ$, which gradually weakens the superconducting state, thus shaping the superconducting dome. Lastly, our doping-dependent measurements allow us to unambiguously track the development of a Coulomb glass phase triggered by disorder due to W dopants.

cond-mat.supr-con↗

arXiv2023

Weyl metallic state induced by helical magnetic order

In the rapidly expanding field of topological materials there is growing interest in systems whose topological electronic band features can be induced or controlled by magnetism. Magnetic Weyl semimetals, which contain linear band crossings near the Fermi level, are of particular interest owing to their exotic charge and spin transport properties. Up to now, the majority of magnetic Weyl semimetals have been realized in ferro- or ferrimagnetically ordered compounds, but a disadvantage of these materials for practical use is their stray magnetic field which limits the minimum size of devices. Here we show that Weyl nodes can be induced by a helical spin configuration, in which the magnetization is fully compensated. Using a combination of neutron diffraction and resonant elastic x-ray scattering, we find that EuCuAs develops a planar helical structure below $T_\textrm{N}$ = 14.5 K which induces Weyl nodes along the $Γ$--A high symmetry line in the Brillouin zone.

cond-mat.str-el↗

arXiv2022

Band structures of (NbSe$_4$)$_3$I and (TaSe$_4$)$_3$I: Reconciling transport, optics and ARPES

Among the quasi one-dimensional transition metal tetrachalcogenides (MSe$_4$)$_n$I (M=Nb,Ta), the $n=3$ compounds are the only ones not displaying charge density waves. Instead, they show structural transitions with puzzling transport behavior. They are semiconductors at the lowest temperatures, but their transport gaps are significantly smaller than those inferred from ARPES and optical conductivity. Recently, a metallic polytype of (TaSe$_4$)$_3$I has been found with ferromagnetism and superconductivity coexisting at low temperature, in contrast to previous reports. In this work we present detailed ab-initio and tight binding band structure calculations for the different (MSe$_4$)$_n$I reported structures. We obtain good agreement with the observed transport gaps, and explain how ARPES and optics experiments effectively probe a gap between different bands due to an approximate translation symmetry, solving the controversy. Finally, we show how small extrinsic hole doping can tune the Fermi level through a Van Hove singularity in (TaSe$_4$)$_3$I and discuss the implications for magnetism and superconductivity.

cond-mat.supr-con↗

arXiv2022

Unconventional charge-to-spin conversions in graphene/MoTe2 van der Waals heterostructures

Spin-charge interconversion (SCI) is a central phenomenon to the development of spintronic devices from materials with strong spin-orbit coupling (SOC). In the case of materials with high crystal symmetry, the only allowed SCI processes are those where the spin current, charge current and spin polarization directions are orthogonal to each other. Consequently, standard SCI experiments are designed to maximize the signals arising from the SCI processes with conventional mutually orthogonal geometry. However, in low-symmetry materials, certain non-orthogonal SCI processes are also allowed. Since the standard SCI experiment is limited to charge current flowing only in one direction in the SOC material, certain allowed SCI configurations remain unexplored. In this work, we performed a thorough SCI study in a graphene-based lateral spin valve combined with low-symmetry MoTe$_2$. Due to a very low contact resistance between the two materials, we could detect SCI signals using both a standard configuration, where the charge current is applied along the MoTe$_2$, and a recently introduced (3D-current) configuration, where the charge current flow can be controlled in three directions within the heterostructure. As a result, we observed three different SCI components, one orthogonal and two non-orthogonal, giving new insight into the SCI processes in low-symmetry materials. The large SCI signals obtained at room temperature, along with the versatility of the 3D-current configuration, provide feasibility and flexibility to the design of the next generation of spin-based devices.

cond-mat.mes-hall↗

arXiv2022

Confined vs. extended Dirac surface states in topological crystalline insulator nanowires

Confining two dimensional Dirac fermions on the surface of topological insulators has remained an outstanding conceptual challenge. Here we show that Dirac fermion confinement is achievable in topological crystalline insulators (TCI), which host multiple surface Dirac cones depending on the surface termination and the symmetries it preserves. This confinement is most dramatically reflected in the flux dependence of these Dirac states in the nanowire geometry, where different facets connect to form a closed surface. Using SnTe as a case study, we show how wires with all four facets of the <100> type display novel Aharonov-Bohm oscillations, while nanowires with the four facets of the <110> type such oscillations are absent due to a strong confinement of the Dirac states to each facet separately. Our results place TCI nanowires as versatile platform for confining and manipulating Dirac surface states.

cond-mat.mes-hall↗

arXiv2022

Observation of superconducting collective modes from competing pairing instabilities in single-layer NbSe$_2$

In certain unconventional superconductors with sizable electronic correlations, the availability of closely competing pairing channels leads to characteristic soft collective fluctuations of the order parameters, which leave fingerprints in many observables and allow to scrutinize the phase competition. Superconducting layered materials, where electron-electron interactions are enhanced with decreasing thickness, are promising candidates to display these correlation effects. In this work, we report the existence of a soft collective mode in single-layer NbSe$_2$, observed as a characteristic resonance excitation in high resolution tunneling spectra. This resonance is observed along with higher harmonics, its frequency $Ω/2Δ$ is anticorrelated with the local superconducting gap $Δ$, and its amplitude gradually vanishes by increasing the temperature and upon applying a magnetic field up to the critical values (T$_C$ and H$_{C2}$), which sets an unambiguous link to the superconducting state. Aided by a microscopic model that captures the main experimental observations, we interpret this resonance as a collective Leggett mode that represents the fluctuation towards a proximate f-wave triplet state, due to subleading attraction in the triplet channel. Our findings demonstrate the fundamental role of correlations in superconducting 2D transition metal dichalcogenides, opening a path towards unconventional superconductivity in simple, scalable and transferable 2D superconductors.

cond-mat.supr-con↗

arXiv2022

Intrinsic efficiency of injection photocurrents in magnetic materials

The generation of shift and ballistic photocurrents in non-centrosymmetric materials represents a promising alternative mechanism for light energy harvesting. Many studies have focused on finding the best suited materials by maximizing the photocurrent magnitude, but estimating the actual efficiency requires knowledge of the light-induced DC photoconductivity and is rarely considered. Using the recently proposed jerk current as photoconductivity, in this work we show that only ballistic photocurrents have finite efficiency in the limit of large relaxation times $τ$. Moreover, at zero temperature the only ballistic current which is finite for unpolarized light is the magnetic injection current, only present in magnetic materials. We present a band structure expression for the efficiency of such photocurrent, showing that it scales as $(\hbar Ω-E_g)^2$ near the band edge, and we present its frequency dependence for a simple tight-binding model. Our work provides a new tool to guide the search for efficient energy harvesting based on the magnetic injection current.

cond-mat.str-el↗

arXiv2022

Charge-to-spin conversion in twisted graphene/WSe$_2$ heterostructures

We investigate the twist angle dependence of spin-orbit coupling (SOC) proximity effects and charge-to-spin conversion (CSC) in graphene/WSe$_2$ heterostructures from first principles. The CSC is shown to strongly depend on the twist angle, with both the spin Hall and standard Rashba-Edelstein efficiencies optimized at or near 30° twisting. Symmetry breaking due to twisting also gives rise to an unconventional Rashba-Edelstein effect, with electrically generated non-equilibrium spin densities possessing spins collinear to the applied electric field. We further discuss how the carrier doping concentration and band broadening control the crossover between the Fermi-sea and -surface spin response, which reconciles the seemingly disparate experimental observations of different CSC phenomena.

cond-mat.mtrl-sci↗

arXiv2022

Omnidirectional spin-to-charge conversion in graphene/NbSe$_2$ van der Waals heterostructures

The conversion of spin currents polarized in different directions into charge currents is a keystone for novel spintronic devices. Van der Waals heterostructures with tailored symmetry are a very appealing platform for such a goal. Here, by performing nonlocal spin precession experiments, we demonstrate the spin-to-charge conversion (SCC) of spins oriented in all three directions (x, y, and z). By analyzing the magnitude and temperature dependence of the signal in different configurations, we argue that the different SCC components measured are likely due to spin-orbit proximity and broken symmetry at the twisted graphene/NbSe$_2$ interface. Such efficient omnidirectional SCC opens the door to the use of new architectures in spintronic devices, from spin-orbit torques that can switch any magnetization to the magnetic state readout of magnetic elements pointing in any direction.

cond-mat.mes-hall↗

arXiv2022

Assessing the role of interatomic position matrix elements in tight-binding calculations of optical properties

We study the role of hopping matrix elements of the position operator $\mathbf{\hat{r}}$ in tight-binding calculations of linear and nonlinear optical properties of solids. Our analysis relies on a Wannier-interpolation scheme based on \textit{ab initio} calculations, which automatically includes matrix elements of $\mathbf{\hat{r}}$ between different Wannier orbitals. A common approximation, both in empirical tight-binding and in Wannier-interpolation calculations, is to discard those matrix elements, in which case the optical response only depends on the on-site energies, Hamiltonian hoppings, and orbital centers. We find that interatomic $\mathbf{\hat{r}}$-hopping terms make a sizeable contribution to the shift photocurrent in monolayer BC$_2$N, a covalent acentric crystal. If a minimal basis of $p_z$ orbitals on the carbon atoms is used to model the band-edge response, even the dielectric function becomes strongly dependent on those terms.

cond-mat.mes-hall↗

arXiv2021

Cubic Hall viscosity in three-dimensional topological semimetals

The nondissipative (Hall) viscosity is known to play an interesting role in two-dimensional (2D) topological states of matter, in the hydrodynamic regime of correlated materials, and in classical active fluids with broken time-reversal symmetry (TRS). However, generalizations of these effects to 3D have remained elusive. In this work, we address this question by studying the Hall viscoelastic response of 3D crystals. We show that for systems with tetrahedral symmetries, there exist new, intrinsically 3D Hall viscosity coefficients that cannot be obtained via a reduction to a quasi-2D system. To study these coefficients, we specialize to a theoretically and experimentally motivated tight-binding model for a chiral magnetic metal in (magnetic) space group [(M)SG] P2$_1$3 (No. 198.9), a nonpolar group of recent experimental interest that hosts both chiral magnets and topological semimetals (TSMs). Using the Kubo formula for viscosity, we compute two forms of the Hall viscosity, phonon and ``momentum'' (conventional) and show that for the tight-binding model we consider, both forms realize the novel cubic Hall viscosity. We conclude by discussing the implication of our results for transport in 2D magnetic metals and discuss some candidate materials in which these effects may be observed.

cond-mat.mes-hall↗

arXiv2021

Theoretical study of topological properties of ferromagnetic pyrite CoS$_2$

Since the discovery of the first topological material 15 years ago, the search for material realizations of novel topological phases has become the driving force of the field. While oftentimes we search for new materials, we forget that well established materials can also display very interesting topological properties. In this work, we revisit CoS$_2$ , a metallic ferromagnetic pyrite that has been extensively studied in the literature due to its magnetic properties. We study the topological features of its electronic band structure and identify Weyl nodes and Nodal lines, as well as a symmetry-protected 4-fold fermion close to the Fermi level. Looking at different surface cleavage planes, we observe both spin polarized Fermi arcs in the majority channel and drumhead states. These findings suggest that CoS$_2$ is a promising platform to study topological phenomena, as well as a good candidate for spintronic applications.

cond-mat.mtrl-sci↗

arXiv2021

Landau levels in curved space realized in strained graphene

The quantum Hall effect in curved space has been the subject of many theoretical investigations in the past, but devising a physical system to observe this effect is hard. Many works have indicated that electronic excitations in strained graphene realize Dirac fermions in curved space in the presence of a background pseudo-gauge field, providing an ideal playground for this. However, the absence of a direct matching between a numerical, strained tight-binding calculation of an observable and the corresponding curved space prediction has hindered realistic predictions. In this work, we provide this matching by deriving the low-energy Hamiltonian from the tight-binding model analytically to second order in the strain and mapping it to the curved-space Dirac equation. Using a strain profile that produces a constant pseudo-magnetic field and a constant curvature, we compute the Landau level spectrum with real-space numerical tight-binding calculations and find excellent agreement with the prediction of the quantum Hall effect in curved space. We conclude discussing experimental schemes for measuring this effect.

cond-mat.str-el↗

arXiv2020

Computing observables without eigenstates: applications to Bloch Hamiltonians

Calculating the observables of a Hamiltonian requires taking matrix elements of operators in the eigenstate basis. Since eigenstates are only defined up to arbitrary phases that depend on Hamiltonian parameters, analytical expressions for observables are often difficult to simplify. In this work, we show how for small Hilbert space dimension N all observables can be expressed in terms of the Hamiltonian and its eigenvalues using the properties of the SU(N) algebra, and we derive explicit expressions for N=2,3,4. Then we present multiple applications specializing to the case of Bloch electrons in crystals, including the computation of Berry curvature, quantum metric and orbital moment, as well as a more complex observable in non-linear response, the linear photogalvanic effect (LPGE). As a physical example we consider multiband Hamiltonians with nodal degeneracies to show first how constraints between these observables are relaxed when going from two to three-band models, and second how quadratic dispersion can lead to constant LPGE at small frequencies.

cond-mat.mes-hall↗

arXiv2020

Observation and control of maximal Chern numbers in a chiral topological semimetal

Topological semimetals feature protected nodal band degeneracies characterized by a topological invariant known as the Chern number (C). Nodal band crossings with linear dispersion are expected to have at most |C|=4, which sets an upper limit to the magnitude of many topological phenomena in these materials. Here we show that the chiral crystal PdGa displays multifold band crossings, which are connected by exactly four surface Fermi-arcs, thus proving that they carry the maximal Chern number magnitude of 4. By comparing two enantiomers, we observe a reversal of their Fermi-arc velocities, which demonstrates that the handedness of chiral crystals can be used to control the sign of their Chern numbers.

cond-mat.mes-hall↗