arXiv subjects

Manuel dos Santos Dias

Publications and source records attributed to Manuel dos Santos Dias.

At least 37 records · Page 2Linked to original sources

arXiv2020

Spin-orbit torques and their associated effective fields from gigahertz to terahertz

Terahertz spintronics offers the prospect of devices which are both faster and more energy-efficient. A promising route to achieve this goal is to exploit current-induced spin-orbit torques. However, the high-frequency properties of these quantities remain unexplored both experimentally and theoretically, within a realistic material-specific approach. Here we investigate the dynamical transverse components of the torques and uncover contributions longitudinal to the magnetic moment capable of changing its magnitude. We show that, while the torques can be drastically altered in the dynamical regime, the effective magnetic fields that accompany them present a frequency-independent behaviour, ranging from the static limit up to the terahertz domain - including the ferromagnetic resonance of the system. The outcomes of this work point to new ways to control magnetic units in next-generation spintronic devices.

cond-mat.mes-hall↗

arXiv2020

Modelling spin waves in noncollinear antiferromagnets: spin-flop states, spin spirals, skyrmions and antiskyrmions

Spin waves in antiferromagnetic materials have great potential for next-generation magnonic technologies. However, their properties and their dependence on the type of ground-state antiferromagnetic structure are still open questions. Here, we investigate theoretically spin waves in one- and two-dimensional model systems with a focus on noncollinear antiferromagnetic textures such as spin spirals and skyrmions of opposite topological charges. We address in particular the nonreciprocal spin excitations recently measured in bulk antiferromagnet $α$--$\text{Cu}_2\text{V}_2\text{O}_7$ utilizing inelastic neutron scattering experiments [Phys.\ Rev.\ Lett.\ \textbf{119}, 047201 (2017)], where we help to characterize the nature of the detected spin-wave modes. Furthermore, we discuss how the Dzyaloshinskii-Moriya interaction can lift the degeneracy of the spin-wave modes in antiferromagnets, resembling the electronic Rashba splitting. We consider the spin-wave excitations in antiferromagnetic spin-spiral and skyrmion systems and discuss the features of their inelastic scattering spectra. We demonstrate that antiskyrmions can be obtained with an isotropic Dzyaloshinskii-Moriya interaction in certain antiferromagnets.

cond-mat.mes-hall↗

arXiv2020

Prospecting chiral multi-site interactions in prototypical magnetic systems

Atomistic spin models have found enormous success in addressing the properties of magnetic materials, grounded on the identification of the relevant underlying magnetic interactions. The huge development in the field of magnetic skyrmions and other noncollinear magnetic structures is largely due to our understanding of the chiral Dzyaloshinskii-Moriya interaction. Recently, various works have proposed new types of chiral interactions, with seemingly different forms, but the big picture is still missing. Here, we present a systematic construction of a generalized spin model containing isotropic and chiral multi-site interactions. These are motivated by a microscopic model that incorporates local spin moments and the spin-orbit interaction, and their symmetry properties are established. We show that the chiral interactions arise solely from the spin-orbit interaction and that the multi-site interactions do not have to follow Moriya's rules, unlike the Dzyaloshinskii-Moriya and chiral biquadratic interactions. The chiral multi-site interactions do not vanish due to inversion symmetry, and comply with a generalized Moriya rule: If all sites connected by the interaction lie in the same mirror plane, the chiral interaction vector must be perpendicular to this plane. We then illustrate our theoretical considerations with density functional theory calculations for prototypical magnetic systems. These are triangular trimers built out of Cr, Mn, Fe and Co adatoms on the Re(0001), Pt(111) and Au(111) surfaces, for which $C_\mathrm{3v}$ symmetry applies, and Cr and Fe square tetramers on Pt(001) with $C_\mathrm{4v}$ symmetry. The multi-site interactions are substantial in magnitude and cannot be neglected when comparing the energy of different magnetic structures. Finally, we discuss the recent literature in light of our findings, and clarify several unclear or confusing points.

cond-mat.mes-hall↗

arXiv2020

Nonreciprocity of spin waves in noncollinear magnets due to the Dzyaloshinskii-Moriya interaction

Broken inversion symmetry in combination with the spin-orbit interaction generates a finite Dzyaloshinskii-Moriya interaction (DMI), which can induce noncollinear spin textures of chiral nature. The DMI is characterized by an interaction vector whose magnitude, direction and symmetries are crucial to determine the stability of various spin textures, such as skyrmions and spin spirals. The DMI can be measured from the nonreciprocity of spin waves in ferromagnets, which can be probed via inelastic scattering experiments. In a ferromagnet, the DMI can modify the spin-wave dispersion, moving its minimum away from the $Γ$ point. Spin waves propagating with opposite wavevectors are then characterized by different group velocities, energies and lifetimes, defining their nonreciprocity. Here, we address the case of complex spin textures, where the manifestation of DMI-induced chiral asymmetries remains to be explored. We discuss such nonreciprocal effects and propose ways of accessing the magnitude and direction of the DMI vectors in the context of spin-polarized or spin-resolved inelastic scattering experiments. We show that only when a periodic magnetic system has finite net magnetization, that is, when the vector sum of all magnetic moments is nonzero, can it present a total nonreciprocal spin-wave spectrum. However, even zero-net-magnetization systems, such as collinear antiferromagnets and cycloidal spin spirals, can have spin-wave modes that are individually nonreciprocal, while the total spectrum remains reciprocal.

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arXiv2020

Theoretical investigation of antiferromagnetic skyrmions in a triangular monolayer

The chiral spin textures of a two-dimensional (2D) triangular system, where both antiferromagnetic (AF) Heisenberg exchange and chiral Dzyaloshinsky-Moriya interactions co-exist, are investigated numerically with an optimized quantum Monte Carlo method based on mean-field theory. We find that: helical, skyrmionic and vortical AF crystals can be formed when an external magnetic field is applied perpendicular to the 2D monolayer; the sizes of these skyrmions and vortices change abruptly at several critical points of the external magnetic field; each of these AF crystals can be decomposed into three periodical ferromagnetic (FM) sublattices. The quantum ingredient implemented into the theoeretical framework helps to track the existence of AF skyrmion lattices down to low temperatures.

cond-mat.mtrl-sci↗

arXiv2020

Controlling in-gap end states by linking nonmagnetic atoms and artificially-constructed spin chains on superconductors

Chains of magnetic atoms with either strong spin-orbit coupling or spiral magnetic order which are proximity-coupled to superconducting substrates can host topologically non-trivial Majorana bound states. The experimental signature of these states consists of spectral weight at the Fermi energy and spatially localized near the ends of the chain. However, topologically trivial Yu-Shiba-Rusinov in-gap states localized near the ends of the chain can lead to similar spectra. Here, we explore a protocol to disentangle these contributions by artificially augmenting a candidate Majorana spin chain with orbitally-compatible nonmagnetic atoms. Combining scanning tunneling spectroscopy with ab-initio and tight-binding calculations, we realize a sharp spatial transition between the proximity-coupled spiral magnetic order and the non-magnetic superconducting wire termination, with persistent zero-energy spectral weight localized at either end of the magnetic spiral. Our findings open a new path towards the control of the spatial position of in-gap end states, trivial or Majorana, via different chain terminations, and the realization of designer Majorana chain networks for demonstrating topological quantum computation.

cond-mat.supr-con↗

arXiv2019

Spin, atomic and inter-atomic orbital magnetism induced by 3d nanostructures deposited on transition metal surfaces

We present a first-principles study of the surface magnetism induced by Cr, Mn, Fe and Co adatoms on the (111) surfaces of Rh, Pd, Ag, Ir, Pt and Au. We first describe how the different contributions to the surface magnetism enter the magnetic stray field, with special attention paid to the induced orbital moments. Then we present results for the spin and orbital magnetic moments of the adatoms, and for the induced surface spin and orbital magnetic moments, the latter being further divided into atomic and inter-atomic contributions. We investigate how the surface magnetism is determined by the chemical nature of the elements involved, such as the filling of the magnetic d-orbitals of the adatoms and the properties of the itinerant electrons at the surface (whether they are sp- or d-like, and whether the spin-orbit interaction is relevant), and how it is modified if the magnetic adatoms are brought together to form a cluster, with Cr, Mn, Fe, and Co trimers on Pt(111) as an example. We also explore the impact of computational approximations, such as the distance between the adatom and the Pt(111) surface, or confinement effects due to the finite thickness of the slab used to model it. Our discussion of the magnetic stray field generated by a single adatom and its environment suggests a possible way of disentangling the induced surface magnetism from the adatom one, which could be feasible with scanning NV-center microscopy.

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arXiv2019

Complex magnetism of B20-MnGe: from spin-spirals, hedgehogs to monopoles

B20 compounds are the playground for various non-trivial magnetic textures such as skyrmions, which are topologically protected states. Recent measurements on B20-MnGe indicate no clear consensus on its magnetic behavior, which is characterized by the presence of either spin-spirals or 3-dimensional objects interpreted to be a cubic lattice of hedgehogs and anti-hedgehogs. Utilizing a massively parallel linear scaling all-electron density functional algorithm, we find from full first-principles simulations on cells containing thousands of atoms that upon increase of the compound volume, the state with lowest energy switches across different magnetic phases: ferromagnetic, spin-spiral, hedgehog and monopole.

cond-mat.mtrl-sci↗

arXiv2019

Magnetism and in-gap states of 3d transition metal atoms on superconducting Re

Magnetic atoms on heavy-element superconducting substrates are potential building blocks for realizing topological superconductivity in one- and two-dimensional atomic arrays. Their localized magnetic moments induce so-called Yu-Shiba-Rusinov (YSR) states inside the energy gap of the substrate. In the dilute limit, where the electronic states of the array atoms are only weakly coupled, proximity of the YSR states to the Fermi energy is essential for the formation of topological superconductivity in the band of YSR states. Here, we reveal via scanning tunnel spectroscopy and ab initio calculations of a series of 3d transition metal atoms (Mn, Fe, Co) adsorbed on the heavy-element superconductor Re that the increase of the Kondo coupling and sign change in magnetic anisotropy with d-state filling is accompanied by a shift of the YSR states through the energy gap of the substrate and a crossing of the Fermi level. The uncovered systematic trends enable the identification of the most promising candidates for the realization of topological superconductivity in arrays of similar systems.

cond-mat.supr-con↗

arXiv2019

The chiral biquadratic pair interaction

Magnetic interactions underpin a plethora of magnetic states of matter, hence playing a central role both in fundamental physics and for future spintronic and quantum computation devices. The Dzyaloshinskii-Moriya interaction, being chiral and driven by relativistic effects, leads to the stabilization of highly-noncollinear spin textures such as skyrmions, which thanks to their topological nature are promising building blocks for magnetic data storage and processing elements. Here, we reveal and study a new chiral pair interaction, which is the biquadratic equivalent of the Dzyaloshinskii-Moriya interaction. First, we derive this interaction and its guiding principles from a microscopic model. Second, we study its properties in the simplest prototypical systems, magnetic dimers deposited on various substrates, resorting to systematic first-principles calculations. Lastly, we discuss its importance and implications not only for magnetic dimers but also for extended systems, namely one-dimensional spin spirals and complex two-dimensional magnetic structures, such as a nanoskyrmion lattice.

cond-mat.mes-hall↗

arXiv2018

Spin dynamics of $3d$ and $4d$ impurities embedded in prototypical topological insulators

Topological insulators are insulating bulk materials hosting conducting surface states. Their magnetic doping breaks time-reversal symmetry and generates numerous interesting effects such as dissipationless transport. Nonetheless, their dynamical properties are still poorly understood. Here, we perform a systematic investigation of transverse spin excitations of $3d$ and $4d$ single impurities embedded in two prototypical topological insulators (Bi$_2$Te$_3$ and Bi$_2$Se$_3$). The impurity-induced states within the bulk gap of the topological insulators are found to have a drastic impact on the spin excitation spectra, resulting in very high lifetimes reaching up to ${microseconds}$. An intuitive picture of the spin dynamics is obtained by mapping onto a generalized Landau-Lifshitz-Gilbert phenomenological model. The first quantity extracted from this mapping procedure is the magnetic anisotropy energy, which is then compared to the one provided by the magnetic force theorem. This uncovers some difficulties encountered with the latter, which can provide erroneous results for impurities with a high density of states at the Fermi energy. Moreover, the Gilbert damping and nutation tensors are obtained. The nutation effects can lead to a non-negligible shift in the spin excitation resonance in the high-frequency regime. Finally, we study the impact of the surface state on the spin dynamics, which may be severely altered due to the repositioning of the impurity-induced state in comparison to the bulk case. Our systematic investigation of this series of magnetic impurities sheds light on their spin dynamics within topological insulators, with implications for available and future experimental studies as, for instance, on the viability of using such impurities for solid-state qubits.

cond-mat.mes-hall↗

arXiv2018

Comparative study of methodologies to compute the intrinsic Gilbert damping: interrelations, validity and physical consequences

Relaxation effects are of primary importance in the description of magnetic excitations, leading to a myriad of methods addressing the phenomenological damping parameters. In this work, we consider several well-established forms of calculating the intrinsic Gilbert damping within a unified theoretical framework, mapping out their connections and the approximations required to derive each formula. This scheme enables a direct comparison of the different methods on the same footing and a consistent evaluation of their range of validity. Most methods lead to very similar results for the bulk ferromagnets Fe, Co and Ni, due to the low spin-orbit interaction strength and the absence of the spin pumping mechanism. The effects of inhomogeneities, temperature and other sources of finite electronic lifetime are often accounted for by an empirical broadening of the electronic energy levels. We show that the contribution to the damping introduced by this broadening is additive, and so can be extracted by comparing the results of the calculations performed with and without spin-orbit interaction. Starting from simulated ferromagnetic resonance spectra based on the underlying electronic structure, we unambiguously demonstrate that the damping parameter obtained within the constant broadening approximation diverges for three-dimensional bulk magnets in the clean limit, while it remains finite for monolayers. Our work puts into perspective the several methods available to describe and compute the Gilbert damping, building a solid foundation for future investigations of magnetic relaxation effects in any kind of material.

cond-mat.mes-hall↗

arXiv2018

Stabilizing spin systems via symmetrically tailored RKKY interactions

The spin of a single atom adsorbed on a substrate is a promising building block for future spintronics and quantum computation schemes. To process spin information and also for increased magnetic stability, these building blocks have to be coupled. For a single atom, a high symmetry of the environment is known to lead to increased spin stability. However, little is known about the role of the nature and symmetry of the magnetic couplings. Here, we study arrays of atomic spins coupled via the ubiquitous Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, focusing on its two anisotropic parts: the Dzyaloshinskii-Moriya (DM) and the symmetric anisotropic exchange interactions. First, we show that the high spin stability of an iron trimer can be remotely detected by a nearby iron atom, and how the DM interaction can lead to its destabilization. Second, we find that adding more nearby iron atoms almost always leads to a destabilization of the trimer, due to a non-local effective transverse anisotropy originating in the symmetric anisotropic exchange interaction. This transverse anisotropy can be quenched only for highly symmetric structures, for which the spin lifetime of the array is increased by orders of magnitude.

cond-mat.mes-hall↗

arXiv2018

Anatomy of magnetic anisotropy induced by Rashba spin-orbit interactions

Magnetic anisotropy controls the orientational stability and switching properties of magnetic states, and therefore plays a central role in spintronics. First-principles density-functional-theory calculations are able, in most cases, to provide a satisfactory description of bulk and interface contributions to the magnetic anisotropy of particular film/substrate combinations. In this paper we focus on achieving a simplified understanding of some trends in interfacial magnetic anisotropy based on a simple tight-binding model for quasiparticle states in a heavy-metal/ferromagnetic-metal bilayer film. We explain how to calculate the magnetic anisotropy energy of this model from the quasiparticle spin-susceptibility, compare with more conventional approaches using either a perturbative treatment of spin-orbit interactions or a direct calculation of the dependence of the energy on the orientation of the magnetization, and show that the magnetic anisotropy can be interpreted as a competition between a Fermi-sea term favoring perpendicular anisotropy and a Fermi-surface term favoring in-plane anisotropy. Based on this finding, we conclude that perpendicular magnetic anisotropy should be expected in an itinerant electron thin film when the spin magnetization density is larger than the product of the band exchange splitting and the Fermi level density-of-states of the magnetic state.

cond-mat.mes-hall↗

arXiv2018

Impurity-induced orbital magnetization in a Rashba electron gas

We investigate the induced orbital magnetization density in a Rashba electron gas with magnetic impurities. Relying on classical electrodynamics, we obtain this quantity through the bound currents composed of a paramagnetic and a diamagnetic-like contribution which emerge from the spin-orbit interaction. Similar to Friedel charge ripples, the bound currents and the orbital magnetization density oscillate as function of distance away from the impurity with characteristic wavelengths defined by the Fermi energy and the strength of the Rashba spin-orbit interaction. The net induced orbital magnetization was found to be of the order of magnitude of its spin counterpart. Besides the exploration of the impact of the electronic filling of the impurity states, we investigate and analyze the orbital magnetization induced by an equilateral frustrated trimer in various non-collinear magnetic states. On the one hand, we confirm that non-vanishing three-spin chiralities generate a finite orbital magnetization density. On the other hand, higher order contributions lead to multiple-spin chiralities affecting non-trivially and significantly the overall magnitude and sign of the orbital magnetization.

cond-mat.mes-hall↗

arXiv2018

Ab initio investigation of impurity-induced in-gap states in Bi$_2$Te$_3$ and Bi$_2$Se$_3$

We investigate in-gap states emerging when a single $3d$ transition metal impurity is embedded in topological insulators (Bi$_2$Te$_3$ and Bi$_2$Se$_3$). We use a combined approach relying on first-principles calculations and an Anderson impurity model. By computing the local density of states of Cr, Mn, Fe and Co embedded not only in surfaces of Bi$_2$Te$_3$ and of Bi$_2$Se$_3$ but also in their bulk phases, we demonstrate that in-gap states originate from the hybridization of the electronic states of the impurity with bulk bands and not with the topological surface states as it is usually assumed. This finding is analyzed using a simplified Anderson impurity model. These observations are in contradiction with the prevailing models used to investigate the magnetic doping of topological insulators [R. R. Biswas et al. PRB 81, 233405 (2010), A. M. Black-Schafer et al. PRB 91, 201411 (2015)], which attribute the origin of the in-gap states to the hybridization with the topological surface states.

cond-mat.mtrl-sci↗

arXiv2018

Spin-fluctuation and spin-relaxation effects of single adatoms from first principles

Single adatoms offer an exceptional playground for studying magnetism and its associated dynamics at the atomic scale. Here we review recent results on single adatoms deposited on metallic substrates, based on time-dependent density functional theory. First we analyze quantum zero-point spin-fluctuations (ZPSF) as calculated from the fluctuation-dissipation theorem, and show how they affect the magnetic stability by modifying the magnetic anisotropy energy. We also assess the impact of ZPSF in the limit of small hybridization to the substrate characteristic of semi-insulating substrates, connecting to recent experimental investigations where magnetic stability of a single adatom was achieved for the first time. Secondly, we inspect further the dynamics of single adatoms by considering the longitudinal and transverse spin-relaxation processes, whose time-scales are analyzed and related to the underlying electronic structure of both the adatom and the substrate. Thirdly, we analyze spin-fluctuation modes of paramagnetic adatoms, i.e., adatoms where the Stoner criterion for magnetism is almost fulfilled. Interestingly, such modes can develop well-defined peaks in the meV range, their main characteristics being determined by two fundamental electronic properties, namely the Stoner parameter and the density of states at the Fermi level. Furthermore, simulated inelastic scanning tunneling spectroscopy curves reveal that these spin-fluctuation modes can be triggered by tunneling electrons, opening up potential applications also for paramagnetic adatoms. Lastly, an overview of the outstanding issues and future directions is given.

cond-mat.mes-hall↗

arXiv2018

Spin-resolved inelastic electron scattering by spin waves in noncollinear magnets

Topological non-collinear magnetic phases of matter are at the heart of many proposals for future information nanotechnology, with novel device concepts based on ultra-thin films and nanowires. Their operation requires understanding and control of the underlying dynamics, including excitations such as spin-waves. So far, no experimental technique has attempted to probe large wave-vector spin-waves in non-collinear low-dimensional systems. In this work, we explain how inelastic electron scattering, being suitable for investigations of surfaces and thin films, can detect the collective spin-excitation spectra of non-collinear magnets. To reveal the particularities of spin-waves in such non-collinear samples, we propose the usage of spin-polarized electron-energy-loss spectroscopy augmented with a spin-analyzer. With the spin-analyzer detecting the polarization of the scattered electrons, four spin-dependent scattering channels are defined, which allow to filter and select specific spin-wave modes. We take as examples a topological non-trivial skyrmion lattice, a spin-spiral phase and the conventional ferromagnet. Then we demonstrate that, counter-intuitively and in contrast to the ferromagnetic case, even non spin-flip processes can generate spin-waves in non-collinear substrates. The measured dispersion and lifetime of the excitation modes permit to fingerprint the magnetic nature of the substrate.

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