arXiv subjects

J. Fernández-Rossier

Publications and source records attributed to J. Fernández-Rossier.

At least 55 records · Page 3Linked to original sources

arXiv2020

Non-reciprocal magnons in a two dimensional crystal with off-plane magnetization

Non reciprocal spin waves have a chiral asymmetry so that their energy is different for two opposite wave vectors. They are found in atomically thin ferromagnetic overlayers with in plane magnetization and are linked to the anti-symmetric Dzyaloshinskii-Moriya surface exchange. We use an itinerant fermion theory based on first principles calculations to predict that non-reciprocal magnons can occur in Fe$_3$GeTe$_2$, the first stand alone metallic two dimensional crystal with off-plane magnetization. We find that both the energy and lifetime of magnons are non-reciprocal and we predict that acoustic magnons can have lifetimes up to hundreds of picoseconds, orders of magnitude larger than in other conducting magnets.

cond-mat.mes-hall↗

arXiv2020

Magneto-optical Kerr effect in spin split two-dimensional massive Dirac materials

Two-dimensional (2D) massive Dirac electrons possess a finite Berry curvature, with Chern number $\pm 1/2$, that entails both a quantized dc Hall response and a subgap full-quarter Kerr rotation. The observation of these effects in 2D massive Dirac materials such as gapped graphene, hexagonal boron nitride or transition metal dichalcogenides (TMDs) is obscured by the fact that Dirac cones come in pairs with opposite sign Berry curvatures, leading to a vanishing Chern number. Here, we show that the presence of spin-orbit interactions, combined with an exchange spin splitting induced either by diluted magnetic impurities or by proximity to a ferromagnetic insulator, gives origin to a net magneto-optical Kerr effect in such systems. We focus on the case of TMD monolayers and study the dependence of Kerr rotation on frequency and exchange spin splitting. The role of the substrate is included in the theory and found to critically affect the results. Our calculations indicate that state-of-the-art magneto-optical Kerr spectroscopy can detect a single magnetic impurity in diluted magnetic TMDs.

cond-mat.mes-hall↗

arXiv2020

Topological magnons in CrI$_3$ monolayers: an itinerant fermion description

Magnons dominate the magnetic response of the recently discovered insulating ferromagnetic two dimensional crystals such as CrI$_3$. Because of the arrangement of the Cr spins in a honeycomb lattice, magnons in CrI$_3$ bear a strong resemblance with electronic quasiparticles in graphene. Neutron scattering experiments carried out in bulk CrI$_3$ show the existence of a gap at the Dirac points, that has been conjectured to have a topological nature. Here we propose a theory for magnons in ferromagnetic CrI$_3$ monolayers based on an itinerant fermion picture, with a Hamiltonian derived from first principles. We obtain the magnon dispersion for 2D CrI$_3$ with a gap at the Dirac points with the same Berry curvature in both valleys. For CrI$_3$ ribbons, we find chiral in-gap edge states. Analysis of the magnon wave functions in momentum space further confirms their topological nature. Importantly, our approach does not require to define a spin Hamiltonian, and can be applied to both insulating and conducting 2D materials with any type of magnetic order.

cond-mat.mes-hall↗

arXiv2020

Excitonic Magneto-Optical Kerr Effect in 2D Transition Metal Dichalcogenides Induced by Spin Proximity

In this paper we develop the excitonic theory of Kerr rotation angle in a two-dimensional (2D) transition metal dichalcogenide at zero magnetic field. The finite Kerr angle is induced by the interplay between spin-orbit splitting and proximity exchange coupling due to the presence of a ferromagnet. We compare the excitonic effect with the single particle theory approach. We show that the excitonic properties of the 2D material lead to a dramatic change in the frequency dependence of the optical response function. We also find that the excitonic corrections enhance the optical response by a factor of two in the case of MoS2 in proximity to a Cobalt thin film.

cond-mat.mes-hall↗

arXiv2019

Magneto-optical response of chromium trihalide monolayers: chemical trends

Chromium trihalides (CrI$_3$, CrBr$_3$ and CrCl$_3$) form a prominent family of isostructural insulating layered materials in which ferromagnetic order has been observed down to the monolayer. Here we provide a comprehensive computational study of magneto-optical properties that are used as probes for the monolayer ferromagnetic order: magnetic circular dichroism and magneto-optic Kerr effect. Using a combination of density functional and Bethe-Salpeter theories, we calculate both the optical absorption and the magneto-optical Kerr angle spectra, including both excitonic effects and spinorial wave functions. We compare the magneto-optical response of the chromium trihalides series and we find that its strength is governed by the spin-orbit coupling of the ligand atoms (I, Br, Cl).

cond-mat.mtrl-sci↗

arXiv2019

Designer fermion models in functionalized graphene bilayers

We propose a method to realize a broad class of tunable fermionic Hamiltonians in graphene bilayer. For that matter, we consider graphene bilayer functionalized with sp$^3$ defects that induce zero energy resonances hosting an individual electron each. The application of an off-plane electric field opens up a gap, so that the zero energy resonance becomes an in-gap bound state whose confinement scales inversely with the gap. Controlling both the distance among the defects and the applied electric field, we can define fermionic models, even lattices, whose hoppings and Coulomb interactions can be tuned. We consider in detail the case of triangular and honeycomb artificial lattices and we show how, for a given arrangement of the sp$^3$ centers, these lattices can undergo an electrically controlled transition between the weak and strong coupling regimes.

cond-mat.mes-hall↗

arXiv2019

Interplay between interlayer exchange and stacking in CrI$_3$ bilayers

We address the interplay between stacking and interlayer exchange for ferromagnetically ordered CrI$_3$, both for bilayers and bulk. Whereas bulk CrI$_3$ is ferromagnetic, both magneto-optical and transport experiments show that interlayer exchange for CrI$_3$ bilayers is antiferromagnetic. Bulk CrI$_3$ is known to assume two crystal structures, rhombohedral and monoclinic, that differ mostly in the stacking between monolayers. Below 210-220 Kelvin, bulk CrI$_3$ orders in a rhombohedral phase. Our density functional theory calculations show a very strong dependence of interlayer exchange and stacking. Specifically, the ground states of both bulk and free-standing CrI$_3$ bilayers are ferromagnetic for the rhombohedral phase. In contrast, the energy difference between both configurations is more than one order of magnitude smaller for the monoclinic phase, and eventually becomes antiferromagnetic when either positive strain or on-site Hubbard interactions ($U \geq 3$) are considered. We also explore the interplay between interlayer hybrydization and stacking, using a Wannier basis, and between interlayer hybrydization and relative magnetic alignment for CrI$_3$ bilayers, that helps to account for the very large tunnel magnetoresistance obvserved in recent experiments.

cond-mat.mes-hall↗

arXiv2019

Optical orientation with linearly polarized light in transition metal dichalcogenides

We study the optical properties of semiconducting transition metal dichalcogenide monolayers under the influence of strong out-of-plane magnetic fields, using the effective massive Dirac model. We pay attention to the role of spin-orbit coupling effects, doping level and electron-electron interactions, treated at the Hartree-Fock level. We find that optically-induced valley and spin imbalance, commonly attained with circularly polarized light, can also be obtained with linearly polarized light in the doped regime. Additionally, we explore an exchange-driven mechanism to enhance the spin-orbit splitting of the conduction band, in n-doped systems, controlling both the carrier density and the intensity of the applied magnetic field.

cond-mat.mes-hall↗

arXiv2019

Hybrid plasmon-magnon polaritons in graphene-antiferromagnet heterostructures

We consider a hybrid structure formed by graphene and an insulating antiferromagnet, separated by a dielectric of thickness up to $d\simeq 500 \,nm$. When uncoupled, both graphene and the antiferromagnetic surface host their own polariton modes coupling the electromagnetic field with plasmons in the case of graphene, and with magnons in the case of the antiferromagnet. We show that the hybrid structure can host two new types of hybrid polariton modes. First, a surface magnon-plasmon polariton whose dispersion is radically changed by the carrier density of the graphene layer, including a change of sign in the group velocity. Second, a surface plasmon-magnon polariton formed as a linear superposition of graphene surface plasmon and the antiferromagnetic bare magnon. This polariton has a dispersion with two branches, formed by the anticrossing between the dispersive surface plasmon and the magnon. We discuss the potential these new modes have for combining photons, magnons, and plasmons to reach new functionalities.

cond-mat.mes-hall↗

arXiv2018

Enhanced lifetimes of spin chains coupled to chiral edge states

We consider spin relaxation of finite-size spin chains exchanged coupled with a one dimensional (1D) electron gas at the edge of a Quantum Spin Hall (QSH) insulator. Spin lifetimes can be enhanced due to two independent mechanisms. First, the suppression of spin-flip forward scattering inherent in the spin momentum locking of the QSH edges. Second, the reduction of spin-flip backward scattering due to destructive interference of the quasiparticle exchange, modulated by $k_F d$, where $d$ is the inter-spin distance and $k_F$ is the Fermi wavenumber of the electron gas. We show that the spin lifetime of the $S=1/2$ ground state of odd-numbered chains of antiferromagnetically (AFM) coupled $S=1/2$ spins can be increased more than 4 orders of magnitude by properly tuning the product $k_Fd$ and the spin size $N$, in strong contrast with the 1D case. Possible physical realizations together with some potential issues are also discussed.

cond-mat.mes-hall↗

arXiv2018

From Cyclic Nanorings to Single-Walled Carbon Nanotubes: Disclosing the Evolution of their Electronic Structure with the Help of Theoretical Methods

We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, starting from a molecular template of varying shape and diameter, i.e. cyclic oligoacene or oligophenacene molecules, and disclosing how adding layers and/or end-caps (i.e. hemi-fullerenes) can modify their (poly)radicaloid nature. We mostly used tight-binding and finite-temperature density-based methods, the former providing a simple but intuitive picture about their electronic structure, and the latter dealing effectively with strong correlation effects by relying on a fractional occupation number weighted electron density (ρFOD ), with additional RAS-SF calculations backing up the latter results. We also explore how minor structural modifications of nanotube end-caps might influence the results, showing that topology, together with the chemical nature of the systems, is pivotal for the understanding of the electronic properties of these and other related systems.

cond-mat.mes-hall↗

arXiv2018

Electron and Cooper pair transport across a single magnetic molecule explored with a scanning tunneling microscope

A scanning tunneling microscope is used to explore the evolution of electron and Cooper pair transport across single Mn-phthalocyanine molecules adsorbed on Pb(111) from tunneling to contact ranges. Normal-metal as well as superconducting tips give rise to a gradual transition of the Bardeen-Cooper-Schrieffer energy gap in the tunneling range into a zero-energy resonance close to and at contact. Supporting transport calculations show that in the normal-metal - superconductor junctions this resonance reflects the merging of in-gap Yu-Shiba-Rusinov states as well as the onset of Andreev reflection. For the superconductor - superconductor contacts the zero-energy resonance is rationalized in terms of a finite Josephson current that is carried by phase-dependent Andreev and Yu-Shiba-Rusinov levels.

cond-mat.supr-con↗

arXiv2018

Van der Waals spin valves

We propose spin valves where a 2D non-magnetic conductor is intercalated between two ferromagnetic insulating layers. In this setup, the relative orientation of the magnetizations of the insulating layers can have a strong impact on the in-plane conductivity of the 2D conductor. We first show this for a graphene bilayer, described with a tight-binding model, placed between two ferromagnetic insulators. In the anti-parallel configuration, a band gap opens at the Dirac point, whereas in the parallel configuration, the graphene bilayer remains conducting. We then compute the electronic structure of graphene bilayer placed between two monolayers of the ferromagnetic insulator CrI$_3$, using density functional theory. Consistent with the model, we find that a gap opens at the Dirac point only in the antiparallel configuration.

cond-mat.mes-hall↗

arXiv2018

On the origin of magnetic anisotropy in two dimensional CrI$_3$

The observation of ferromagnetic order in a monolayer of CrI$_3$ has been recently reported, with a Curie temperature of 45 Kelvin and off-plane easy axis. Here we study the origin of magnetic anisotropy, a necessary ingredient to have magnetic order in two dimensions, combining two levels of modeling, density functional calculations and spin model Hamiltonians. We find two different contributions to the magnetic anisotropy of the material, both favoring off-plane magnetization and contributing to open a gap in the spin wave spectrum. First, ferromagnetic super-exchange across the $\simeq $ 90 degree Cr-I-Cr bonds, are anisotropic, due to the spin orbit interaction of the ligand I atoms. Second, a much smaller contribution that comes from the single ion anisotropy of the $S=3/2$ Cr atom. Our results permit to establish the XXZ Hamiltonian, with a very small single ion anisotropy, as the adequate spin model for this system. Using spin wave theory we estimate the Curie temperature and we highlight the essential role played by the gap that magnetic anisotropy induces on the magnon spectrum.

cond-mat.mes-hall↗

arXiv2017

Electrical spin manipulation in graphene nanostructures

We propose a mechanism to drive singlet-triplet spin transitions electrically, in a wide class of graphene nanostructures that present pairs of in-gap zero modes, localized at opposite sublattices. Examples are rectangular nanographenes with short zigzag edges, armchair ribbon heterojunctions with topological in-gap states and graphene islands with sp$^3$ functionalization. The interplay between the hybridization of zero modes and Coulomb repulsion leads to symmetric exchange interaction that favors a singlet ground state. Application of an off-plane electric field to the graphene nanostructure generates an additional Rashba spin-orbit coupling, which results in antisymmetric exchange interaction that mixes $S=0$ and $S=1$ manifolds. We show that modulation in time of either the off-plane electric field or the applied magnetic field permits to perform electrically driven spin resonance in a system with very long spin relaxation times.

cond-mat.mes-hall↗

arXiv2017

Anomalous magnetism in hydrogenated graphene

We revisit the problem of local moment formation in graphene due to chemisorption of individual atomic hydrogen or other analogous sp$^3$ covalent functionalizations. We describe graphene with the single orbital Hubbard model, so that the H chemisorption is equivalent to a vacancy in the honeycomb lattice. In order to circumvent artefacts related to periodic unit cells, we use either huge simulation cells of up to $8\times10^5$ sites, or an embedding scheme that allows the modelling of a single vacancy in an otherwise pristine infinite honeycomb lattice. We find three results that stress the anomalous nature of the magnetic moment ($m$) in this system. First, in the non-interacting ($U=0$), zero temperature ($T=0$) case, the $m(B)$ is a continuous smooth curve with divergent susceptibility, different from the step-wise constant function found for a single unpaired spins in a gapped system. Second, for $U=0$ and $T>0$, the linear susceptibility follows a power law $\propto{T}^{-α}$ with an exponent of $α=0.77$ different from conventional Curie's law. For $U>0$, in the mean field approximation, the integrated moment is smaller than $m=1μ_B$, in contrast with results using periodic unit cells. These three results highlight that the magnetic response of the local moment induced by sp$^3$ functionalizations in graphene is different both from that of local moments in gaped systems, for which the magnetic moment is quantized and follows a Curie law, and from Pauli paramagnetism in conductors, for which a linear susceptibility can be defined at $T=0$.

cond-mat.mtrl-sci↗

arXiv2016

Spin decoherence of magnetic atoms on surfaces

We review the problem of spin decoherence of magnetic atoms deposited on a surface. Recent breakthroughs in scanning tunnelling microscopy (STM) make it possible to probe the spin dynamics of individual atoms, either isolated or integrated in nanoengineered spin structures. Transport pump and probe techniques with spin polarized tips permit measuring the spin relaxation time $T_1$, while novel demonstration of electrically driven STM single spin resonance has provided a direct measurement of the spin decoherence time $T_2$ of an individual magnetic adatom. Here we address the problem of spin decoherence from the theoretical point of view. First we provide a short general overview of decoherence in open quantum systems and we discuss with some detail ambiguities that arise in the case of degenerate spectra, relevant for magnetic atoms. Second, we address the physical mechanisms that allows probing the spin coherence of magnetic atoms on surfaces. Third, we discuss the main spin decoherence mechanisms at work on a surface, most notably, Kondo interaction, but also spin-phonon coupling and dephasing by Johnson noise. Finally, we propose some schemes to engineer spin decoherence.

cond-mat.mes-hall↗

arXiv2016

RKKY oscillations in the spin relaxation rates of atomic scale nanomagnets

Exchange interactions with itinerant electrons are known to act as a relaxation mechanism for individual local spins. The same exchange interactions are also known to induce the so called RKKY indirect exchange interaction between two otherwise decoupled local spins. Here we show that both the spin relaxation and the RKKY coupling can be seen as the dissipative and reactive response to the coupling of the local spins with the itinerant electrons. We thereby predict that the spin relaxation rates of magnetic nanostructures of exchanged coupled local spins, such as as nanoengineered spin chains, have an oscillatory dependence on $k_F d$ , where $k_F$ is the Fermi wave length and $d$ is the inter-spin distance, very much like the celebrated oscillations in the RKKY interaction. We demonstrate that both $T_1$ and $T_2$ can be enhanced or suppressed, compared to the single spin limit, depending on the interplay between the Fermi surface and the nanostructure geometrical arrangement. Our results open a route to engineer spin relaxation and decoherence in atomically designed spin structures.

cond-mat.mes-hall↗