arXiv subjects

Fernando de Juan

Publications and source records attributed to Fernando de Juan.

At least 55 records · Page 3Linked to original sources

arXiv2020

Weyl-fermions, Fermi-arcs, and minority-spin carriers in ferromagnetic CoS2

The pyrite compound CoS2 has been intensively studied in the past due to its itinerant ferromagnetism and potential for half-metallicity, which make it a promising material for spintronic applications. However, its electronic structure remains only poorly understood. Here we use complementary bulk- and surface-sensitive angle-resolved photoelectron spectroscopy and ab-initio calculations to provide a complete picture of its band structure. We discover Weyl-cones at the Fermi-level, which presents CoS2 in a new light as a rare member of the recently discovered class of magnetic topological metals. We directly observe the topological Fermi-arc surface states that link the Weyl-nodes, which will influence the performance of CoS2 as a spin-injector by modifying its spin-polarization at interfaces. Additionally, we are for the first time able to directly observe a minority-spin bulk electron pocket in the corner of the Brillouin zone, which proves that CoS2 cannot be a true half-metal. Beyond settling the longstanding debate about half-metallicity in CoS2, our results provide a prime example of how the topology of magnetic materials can affect their use in spintronic applications.

cond-mat.mtrl-sci↗

arXiv2020

Chiral Topological Semimetal with Multifold Band Crossings and Long Fermi arcs

Topological semimetals in crystals with a chiral structure (which possess a handedness due to a lack of mirror and inversion symmetries) are expected to display numerous exotic physical phenomena, including fermionic excitations with large topological charge [1], long Fermi arc surface states [2,3], unusual magnetotransport [4] and lattice dynamics [5], as well as a quantized response to circularly polarized light [6]. To date, all experimentally confirmed topological semimetals exist in crystals that contain mirror operations, meaning that these properties do not appear. Here, we show that AlPt is a structurally chiral topological semimetal that hosts new fourfold and sixfold fermions, which can be viewed as a higher spin eneralization of Weyl fermions without equivalence in elementary particle physics. These multifold fermions are located at high symmetry points and have Chern numbers larger than those in Weyl semimetals, thus resulting in multiple Fermi arcs that span the full diagonal of the surface Brillouin zone. By imaging these long Fermi arcs, we experimentally determine the magnitude and sign of their Chern number, allowing us to relate their dispersion to the handedness of their host crystal.

cond-mat.mes-hall↗

arXiv2019

Strong bulk photovoltaic effect in chiral crystal in the visible spectrum

Structurally chiral materials hosting multifold fermions with large topological number have attracted considerable attention because of their naturally long surface Fermi arcs and bulk quantized circular photogalvanic effect (CPGE). Multifold fermions only appear in metallic states, and therefore, most studies so far have only focused on the semimetals in compounds with chiral crystal structures. In this work, we show that the structurally chiral topological trivial insulators are also exotic states, which is interesting from the application point of view, owing to their natural advantage to host a large bulk photovoltaic effect in the visible wavelength region. In the last decades, the shift current in the visible wavelength region was limited to be 10 uA/V2 . By scanning the insulators with chiral structure, we found a class of compounds with photoconductivity ranging from 20 to 80 uA/V2 , which is approximately one order of magnitude larger than that reported in other real materials. This work illustrates that the compounds with chiral structure can host both quantum CPGE and a strong shift current in the second order optical response. Moreover, this work offers a good platform for the study of the shift current and its future application by putting the focus on insulator with chiral lattices, so far overlooked in photovoltaic technologies.

cond-mat.mtrl-sci↗

arXiv2019

Large multi-directional spin-to-charge conversion in low symmetry semimetal MoTe$_2$ at room temperature

Efficient and versatile spin-to-charge current conversion is crucial for the development of spintronic applications, which strongly rely on the ability to electrically generate and detect spin currents. In this context, the spin Hall effect has been widely studied in heavy metals with strong spin-orbit coupling. While the high crystal symmetry in these materials limits the conversion to the orthogonal configuration, unusual configurations are expected in low symmetry transition metal dichalcogenide semimetals, which could add flexibility to the electrical injection and detection of pure spin currents. Here, we report the observation of spin-to-charge conversion in MoTe$_2$ flakes, which are stacked in graphene lateral spin valves. We detect two distinct contributions arising from the conversion of two different spin orientations. In addition to the conventional conversion where the spin polarization is orthogonal to the charge current, we also detect a conversion where the spin polarization and the charge current are parallel. Both contributions, which could arise either from bulk spin Hall effect or surface Edelstein effect, show large efficiencies comparable to the best spin Hall metals and topological insulators. Our finding enables the simultaneous conversion of spin currents with any in-plane spin polarization in one single experimental configuration.

cond-mat.mes-hall↗

arXiv2019

Difference frequency generation in topological semimetals

When two lasers are applied to a non-centrosymmetric material, light can be generated at the difference of the incoming frequencies $Δω$, a phenomenon known as difference frequency generation (DFG), well characterized in semiconductors. In this work, we derive a general expression for DFG in metals, which we use to show that the DFG in chiral topological semimetals under circular polarized light is quantized in units of $e^3/h^2$ and independent of material parameters, including the scattering time $τ$, when $Δω\gg τ^{-1}$. In this regime, DFG provides a simpler alternative to measure a quantized response in metals compared to previous proposals based on single frequency experiments. Our general derivation unmasks, in addition, a free-carrier contribution to the circular DFG beyond the semiclassical one. This contribution can be written as a Fermi surface integral, features strong frequency dependence, and oscillates with a $π/2$ shift with respect to the quantized contribution. We make predictions for the circular DFG of chiral and non-chiral materials using generic effective models, and ab-initio calculations for TaAs and RhSi. Our work provides a complete picture of the DFG in the length gauge approach, in the clean, non-interacting limit, and highlights a plausible experiment to measure topologically quantizated photocurrents in metals.

cond-mat.mes-hall↗

arXiv2019

Spectral and optical properties of Ag$_3$Au(Se$_2$,Te$_2$) and dark matter detection

In this work we study the electronic structure of Ag${}_3$AuSe${}_2$ and Ag${}_3$AuTe${}_2$, two chiral insulators whose gap can be tuned through small changes in the lattice parameter by applying hydrostatic pressure or choosing different growth protocols. Based on first principles calculations we compute their band structure for different values of the lattice parameters and show that while Ag${}_3$AuSe${}_2$ retains its direct narrow gap at the $Γ$ point, Ag${}_3$AuTe${}_2$ can turn into a metal. Focusing on Ag${}_3$AuSe${}_2$ we derive a low energy model around $Γ$ using group theory, which we use to calculate the optical conductivity for different values of the lattice constant. We discuss our results in the context of detection of light dark matter particles, which have masses of the order of a $k$eV, and conclude that Ag${}_3$AuSe${}_2$ satisfies three important requirements for a suitable detector: small Fermi velocities, $m$eV band gap and low photon screening. Our work motivates the growth of high-quality and large samples of Ag${}_3$AuSe${}_2$ to be used as target materials in dark matter detectors.

cond-mat.mtrl-sci↗

arXiv2019

Conditions for fully gapped topological superconductivity in topological insulator nanowires

Among the different platforms to engineer Majorana fermions in one-dimensional topological superconductors, topological insulator nanowires remain a promising option. Threading an odd number of flux quanta through these wires induces an odd number of surface channels, which can then be gapped with proximity induced pairing. Because of the flux and depending on energetics, the phase of this surface pairing may or may not wind around the wire in the form of a vortex. Here we show that for wires with discrete rotational symmetry, this vortex is necessary to produce a fully gapped topological superconductor with localized Majorana end states. Without a vortex the proximitized wire remains gapless, and it is only if the symmetry is broken by disorder that a gap develops, which is much smaller than the one obtained with a vortex. These results are explained with the help of a continuum model and validated numerically with a tight binding model, and highlight the benefit of a vortex for reliable use of Majorana fermions in this platform.

cond-mat.mes-hall↗

arXiv2019

Linear optical conductivity of chiral multifold fermions

Chiral multifold fermions are quasiparticles described by higher spin generalizations of the Weyl equation, and are realized as low energy excitations near symmetry protected band crossings in certain chiral crystals. In this work we calculate the linear optical conductivity of all chiral multifold fermions. We show that it is enhanced with respect to that of Weyl fermions with the same Fermi velocity, and features characteristic activation frequencies for each multifold fermion class, providing an experimental fingerprint to detect them. We calculate the conductivity for realistic chiral multifold semimetals by using lattice tight-binding Hamiltonians that match the effective models of multifold fermions at low energies, for space groups 199 and 198. The latter includes RhSi, for which we give quantitative predictions, and also CoSi and AlPt. Our predictions can be tested in absorption or penetration depth measurements, and are necessary to extract the recently proposed quantized photocurrents from experiments.

cond-mat.mes-hall↗

arXiv2018

Chiral Optical Response of Multifold Fermions

Multifold fermions are generalizations of two-fold degenerate Weyl fermions with three-, four-, six- or eight-fold degeneracies protected by crystal symmetries, of which only the last type is necessarily non-chiral. Their low energy degrees of freedom can be described as emergent particles not present in the Standard Model of particle physics. We propose a range of experimental probes for multifold fermions in chiral symmetry groups based on the gyrotropic magnetic effect (GME) and the circular photo-galvanic effect (CPGE). We find that, in contrast to Weyl fermions, multifold fermions can have zero Berry curvature yet a finite GME, leading to an enhanced response. The CPGE is quantized and independent of frequency provided that the frequency region at which it is probed defines closed optically-activated momentum surfaces. We confirm the above properties by calculations in symmetry-restricted tight binding models with realistic density functional theory parameters. We identify a range of previously-unidentified ternary compounds able to exhibit chiral multifold fermions of all types (including a range of materials in the families AsBaPt and Gd$_3$Cl$_3$C), and provide specific predictions for the known multifold material RhSi.

cond-mat.mes-hall↗

arXiv2017

Quantized circular photogalvanic effect in Weyl semimetals

The circular photogalvanic effect (CPGE) is the part of a photocurrent that switches depending on the sense of circular polarization of the incident light. It has been consistently observed in systems without inversion symmetry and depends on non-universal material details. Here we find that in a class of Weyl semimetals (e.g. SrSi$_2$) and three-dimensional Rashba materials (e.g. doped Te) without inversion and mirror symmetries, the injection contribution to the CPGE trace is effectively quantized in terms of the fundamental constants $e, h, c$ and $ε_0$ with no material-dependent parameters. This is so because the CPGE directly measures the topological charge of Weyl points, and non-quantized corrections from disorder and additional bands can be small over a significant range of incident frequencies. Moreover, the magnitude of the CPGE induced by a Weyl node is relatively large, which enables the direct detection of the monopole charge with current techniques.

cond-mat.str-el↗

arXiv2017

Time-reversal and rotation symmetry breaking superconductivity in Dirac materials

We consider mixed symmetry superconducting phases in Dirac materials in the odd parity channel, where pseudoscalar and vector order parameters can coexist due to their similar critical temperatures when attractive interactions are of finite range. We show that the coupling of these order parameters to unordered magnetic dopants favors the condensation of novel time-reversal symmetry breaking (TRSB) phases, characterized by a condensate magnetization, rotation symmetry breaking, and simultaneous ordering of the dopant moments. We find a rich phase diagram of mixed TRSB phases characterized by peculiar bulk quasiparticles, with Weyl nodes and nodal lines, and distinctive surface states. These findings are consistent with recent experiments on Nb$_x$Bi$_2$Se$_3$ that report evidence of point nodes, nematicity, and TRSB superconductivity induced by Nb magnetic moments.

cond-mat.supr-con↗

arXiv2017

Design principles for shift current photovoltaics

While the basic principles and limitations of conventional solar cells are well understood, relatively little attention has gone toward maximizing the potential efficiency of photovoltaic devices based on shift currents. In this work, we outline simple design principles for the optimization of shift currents for frequencies near the band gap, derived from the analysis of a general effective model. The use of a novel sum rule allows us to express the band edge shift current in terms of a few model parameters and to show it depends explicitly on wavefunctions via Berry connections in addition to standard band structure. We use our approach to identify two new classes of shift current photovoltaics, ferroelectric polymer films and single-layer orthorhombic monochalcogenides such as GeS. We introduce tight-binding models for these systems, and show that they exhibit the largest shift current responsivities at the band edge reported so far. Moreover, exploring the parameter space of these models we find photoresponsivities that can exceed $100$ mA/W. Our results show how the study of the shift current via effective models allows one to improve the possible efficiency of devices based on this mechanism and better grasp their potential to compete with conventional solar cells.

cond-mat.mes-hall↗

arXiv2016

Space group constraints on weak indices in topological insulators

Lattice translation symmetry gives rise to a large class of "weak" topological insulators (TIs), characterized by translation-protected gapless surface states and dislocation bound states. In this work we show that space group symmetries lead to constraints on the weak topological indices that define these phases. In particular we show that screw rotation symmetry enforces the Hall conductivity along the screw axis to be quantized in multiples of the screw rank, which generally applies to interacting systems. We further show that certain 3D weak indices associated with quantum spin Hall effects (class AII) are forbidden by the Bravais-lattice and by glide or even-fold screw symmetries. These results put a strong constraints on candidates of weak TIs in the experimental and numerical search for topological materials, based on the crystal structure alone.

cond-mat.str-el↗

arXiv2015

Bulk invariants and topological response in insulators and superconductors with nonsymmorphic symmetries

In this work we consider whether nonsymmorphic symmetries such as a glide plane can protect the existence of topological crystalline insulators and superconductors in three dimensions. In analogy to time-reversal symmetric insulators, we show that the presence of a glide gives rise to a quantized magnetoelectric polarizability, which we compute explicitly through the Chern-Simons 3-form of the bulk wave functions for a glide symmetric model. Our approach provides a measurable property for this insulator and naturally explains the connection with mirror symmetry protected insulators and the recently proposed $Z_2$ index for this phase. More generally, we prove that the magnetoelectric polarizability becomes quantized with any orientation-reversing space group symmetry. We also construct analogous examples of glide protected topological crystalline superconductors in classes D and C and discuss how bulk invariants are related to quantized surface thermal-Hall and spin-Hall responses.

cond-mat.str-el↗

arXiv2015

Interaction driven phases in the half-filled honeycomb lattice: an infinite density matrix renormalization group study

The emergence of the Haldane Chern insulator state due to strong short range repulsive interactions in the half-filled fermionic spinless honeycomb lattice model has been proposed and challenged with different methods and yet it still remains controversial. In this work we revisit the problem using the infinite density matrix renormalization group method and report numerical evidence supporting i) the absence of the Chern insulator state, ii) two previously unnoticed charge ordered phases and iii) the existence and stability of all the non-topological competing orders that were found previously within mean field. In addition, we discuss the nature of the corresponding phase transitions based on our numerical data. Our work establishes the phase diagram of the half-filled honeycomb lattice model tilting the balance towards the absence of a Chern insulator phase for this model.

cond-mat.str-el↗

arXiv2015

Emergence of a ZO Kohn anomaly in quasi-freestanding epitaxial graphene

In neutral graphene, two prominent cusps known as Kohn anomalies are found in the phonon dispersion of the highest optical phonon at $q=Γ$ (LO branch) and $q=K$ (TO branch), reflecting a significant electron-phonon coupling to undoped Dirac electrons. In this work, high-resolution electron energy loss spectroscopy is used to measure the phonon dispersion around the $Γ$ point in quasi-freestanding graphene epitaxially grown on Pt(111). The Kohn anomaly for the LO phonon is observed at finite momentum $q\sim2k_F$ from $Γ$, with a shape in excellent agreement with the theory and consistent with known values of the EPC and the Fermi level. More strikingly, we also observe a Kohn anomaly at the same momentum for the out-of-plane optical phonon (ZO) branch. This observation is the first direct evidence of the coupling of the ZO mode with Dirac electrons, which is forbidden for freestanding graphene but becomes allowed in the presence of a substrate. Moreover, we estimate the EPC to be even greater than that of the LO mode, making graphene on Pt(111) an optimal system to explore the effects of this new coupling in the electronic properties.

cond-mat.mes-hall↗

arXiv2015

Generalized effective hamiltonian for graphene under non-uniform strain

We use a symmetry approach to construct a systematic derivative expansion of the low energy effective Hamiltonian modifying the continuum Dirac description of graphene in the presence of non-uniform elastic deformations. We extract all experimentally relevant terms and describe their physical significance. Among them there is a new gap-opening term that describes the Zeeman coupling of the elastic pseudomagnetic field and the pseudospin. We determine the value of the couplings using a generalized tight binding model.

cond-mat.mes-hall↗

arXiv2015

Symmetries and selection rules in the measurement of the phonon spectrum of graphene and related materials

When the phonon spectrum of a material is measured in a scattering experiment, selection rules preclude the observation of phonons that are odd under reflection by the scattering plane. Understanding these rules is crucial to correctly interpret experiments and to detect broken symmetries. Taking graphene as a case study, in this work we derive the complete set of selection rules for the honeycomb lattice, showing that some of them have been missed or misinterpreted in the literature. Focusing on the technique of high-resolution electron energy loss spectroscopy (HREELS), we calculate the scattering intensity for a simple force constant model to illustrate these rules. In addition, we present HREELS measurements of the phonon dispersion for graphene on Ru(0001) and find excellent agreement with the theory. We also illustrate the effect of different symmetry breaking scenarios in the selection rules and discuss previous experiments in light of our results.

cond-mat.mes-hall↗