arXiv subjects

Manuel dos Santos Dias

Publications and source records attributed to Manuel dos Santos Dias.

At least 19 recordsLinked to original sources

arXiv2026

Hidden Magnetic Complexity Within a Simple van der Waals Ferromagnet Ce$_2$Te$_5$

Ce$_2$Te$_5$ is a layered $f$-electron van der Waals magnet in which reduced dimensionality and inequivalent Ce sites give rise to competing magnetic interactions. We investigate its magnetic ground state using muon spin relaxation ($μ$SR), neutron powder diffraction (NPD), and inelastic neutron scattering (INS). Zero-field $μ$SR reveals an onset of static magnetism below $T_{\mathrm{C}} = 5.0(1)$~K, followed by an additional anomaly in the internal field at $T_{\mathrm{2}} = 2.3(2)$~K, consistent with features observed in bulk thermodynamic and transport measurements. In contrast, NPD data collected between $0.05-8$~K reveal a single long-range ordered magnetic phase below $T_{\mathrm C}$, with the magnetic Bragg intensities vanishing at $T_{\mathrm C}$ with no evidence for additional structural or magnetic phase transitions down to base temperature. The ordered state is characterized by a commensurate propagation vector $\mathbf{k}=(0,0,0)$ and ferromagnetic alignment of Ce moments along the crystallographic $b$ axis. Remarkably, only one of the two crystallographically distinct Ce sites carries an ordered moment of $\sim 0.85(3)~μ_{\mathrm B}$ per Ce at 0.05~K. INS measurements establish the crystal electric field (CEF) energy scale of Ce$^{3+}$, revealing low-lying excitations at 7.94 and 21.46~meV and a Kramers doublet ground state with strong single-ion anisotropy. These results demonstrate that Ce$_2$Te$_5$ undergoes a single symmetry-breaking magnetic transition, while additional low-temperature anomalies reflect subtle modifications of the ordered state driven by competing interactions and CEF effects.

cond-mat.str-el↗

arXiv2025

Tuning the Electronic States of Bi2Se3 Films with Large Spin-Orbit Interaction Using Molecular Heterojunctions

An electric bias can shift the Fermi level along the Dirac cone of a topological insulator and modify its charge transport, but tuning the electronic states and spin-orbit interaction (SOI) without destroying the surface topology is challenging. Here, we show that thin film Bi2Se3/n-p (p-n) molecular diodes form ordered interfaces where charge transfer and orbital re-hybridisation result in a decrease (increase) of the carrier density and improved mobility. In Bi2Se3 the spin-orbit lifetime, t_so, is 0.13 ps, which is comparable to the strongest spin-orbit materials. This lifetime drops further to 0.06 ps (0.09 ps) with the addition of p-n (n-p) molecular diodes, at the limit of measurable values. This strengthened spin-orbit interaction occurs even though molecules are made of light elements and increase the mean free path of the charge carriers by almost 50%, indicating changes to the Berry curvature and/or Rashba splitting around the hybridisation points. Raman spectroscopy gives evidence that the coupling effect may be controlled by optical irradiation, opening a pathway towards the design of heavy-light element hybrids with optically tunable quantum transport.

cond-mat.mtrl-sci↗

arXiv2025

Systematic Mapping of Altermagnetic Magnons by Resonant Inelastic X-Ray Circular Dichroism

Altermagnets, a unique class of magnetic materials that combines features of both ferromagnets and antiferromagnets, have garnered attention for their potential in spintronics and magnonics. While the electronic properties of altermagnets have been well studied, characterizing their magnon excitations is essential for fully understanding their behavior and enabling practical device applications. In this work, we introduce a measurement protocol combining resonant inelastic X-ray scattering with circular polarization and azimuthal scanning to probe the chiral nature of the altermagnetic split magnon modes in CrSb. This approach circumvents the challenges posed by domain averaging in macroscopic samples, allowing for precise measurements of the polarization and energy of the magnons in individual antiferromagnetic domains. Our findings demonstrate a pronounced circular dichroism in the magnon peaks, with an azimuthal dependence that is consistent with the theoretical predictions and the $g$-wave symmetry. By establishing a reliable and accessible method for probing altermagnetic magnons, this work opens new avenues for fundamental studies of these collective excitations and for developing next-generation magnonic device applications.

cond-mat.str-el↗

arXiv2025

Triple-Q state in magnetic breathing kagome lattice

Magnetic frustration in two-dimensional spin lattices with triangular motifs underpins a series of exotic states, ranging from multi-Q configurations to disordered spin-glasses. The antiferromagnetic kagome lattice, characterized by its network of corner-sharing triangles, represents a paradigmatic frustrated system exhibiting macroscopic degeneracy. Expanding upon the kagomerization mechanism, we focus on the magnetic breathing kagome lattice formed by a Mn monolayer deposited on a heavy metal substrate and capped with h-BN. The Mn kagome arrangement induces pronounced magnetic frustration, as evidenced by the nearly flat bands derived from spin spiral energy calculations. Including further-neighbor interactions reveals a spin spiral energy minimum along the $Γ$-K line and an intriguing triple-Q state with nonzero topological charge, potentially leading to highly nonlinear Hall effects. Furthermore, the flat band properties can further give rise to an even more complex spin configuration, marked by several Q-pockets in the spin structure factor. These results present a fertile ground for advancing the study of multi-Q states and exploring emergent topological phenomena.

cond-mat.mtrl-sci↗

arXiv2024

Ultrafast light-induced magnetization in non-magnetic films: from orbital and spin Hall phenomena to the inverse Faraday effect

The field of orbitronics has emerged with great potential to impact information technology by enabling environmentally friendly electronic devices. The main electronic degree of freedom at play is the orbital angular momentum, which can give rise to a myriad of phenomena such as the orbital Hall effect (OHE), torques and orbital magnetoelectric effects. Here, we explore via realistic time-dependent electronic structure simulations the magnetic response of a non-magnetic material, an ultrathin Pt film, to ultrafast laser pulses of different polarizatons and helicities. We demonstrate the generation of significant orbital and spin magnetizations and identify the underlying mechanisms consisting of the interplay of the OHE, inverse Faraday effect and spin-orbit interaction. Our discoveries advocate for the prospect of encoding magnetic information using light in materials that are not inherently magnetic.

cond-mat.mtrl-sci↗

arXiv2024

3d-oxide molecules to tailor large magnetic anisotropy energies on MgO films

Designing systems with large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. A recent breakthrough achieved the theoretical limit of the MAE for 3$d$ transition metal atoms by placing a single Co atom on a MgO(100) surface, a result not replicated by standard first-principles simulations. Our study, incorporating Hubbard-$U$ correction and spin-orbit coupling, successfully reproduces and explains the high MAE of a Co adatom on a MgO (001) surface. We go further by exploring ways to enhance MAE in 3d transition metal adatoms through different structural geometries of 3d--O molecules on MgO. One promising structure, with molecules perpendicular to the surface, enhances MAE while reducing substrate interaction, minimizing spin fluctuations, and boosting magnetic stability. Additionally, we demonstrate significant control over MAE by precisely placing 3d--O molecules on the substrate at the atomic level.

cond-mat.mes-hall↗

arXiv2023

Kagomerization of transition metal monolayers induced by two-dimensional hexagonal boron nitride

The kagome lattice is an exciting solid state physics platform for the emergence of nontrivial quantum states driven by electronic correlations: topological effects, unconventional superconductivity, charge and spin density waves, and unusual magnetic states such as quantum spin liquids. While kagome lattices have been realized in complex multi-atomic bulk compounds, here we demonstrate from first-principles a process that we dub kagomerization, in which we fabricate a two-dimensional kagome lattice in monolayers of transition metals utilizing a hexagonal boron nitride (h-BN) overlayer. Surprisingly, h-BN induces a large rearrangement of the transition metal atoms supported on a fcc(111) heavy-metal surface. This reconstruction is found to be rather generic for this type of heterostructures and has a profound impact on the underlying magnetic properties, ultimately stabilizing various topological magnetic solitons such as skyrmions and bimerons. Our findings call for a reconsideration of h-BN as merely a passive capping layer, showing its potential for not only reconstructing the atomic structure of the underlying material, e.g. through the kagomerization of magnetic films, but also enabling electronic and magnetic phases that are highly sought for the next generation of device technologies.

cond-mat.mtrl-sci↗

arXiv2023

Electrical engineering of topological magnetism in two-dimensional heterobilayers

The emergence of topological magnetism in two-dimensional (2D) van der Waals (vdW) magnetic materials promoted 2D heterostructures as key building-blocks of devices for information technology based on topological concepts. Here, we demonstrate the all-electric switching of the topological nature of individual magnetic objects emerging in 2D vdW heterobillayers. We show from the first principles that an external electric field modifies the vdW gap between CrTe $_2$ and (Rh, Ti)Te$_2$ layers and alters the underlying magnetic interactions. This enables switching between ferromagnetic skyrmions and meron pairs in the CrTe$_2$/RhTe$_2$ heterobilayer while it enhances the stability of frustrated antiferromagnetic merons in the CrTe$_2$/TiTe$_2$ heterobilayer. We envision that the electrical engineering of distinct topological magnetic solitons in a single device could pave the way for novel energy-efficient mechanisms to store and transmit information with applications in spintronics.

cond-mat.mtrl-sci↗

arXiv2023

CrTe$_2$ as a two-dimensional material for topological magnetism in complex heterobilayers

The discovery of two-dimensional (2D) van der Waals magnetic materials and their heterostructures provided an exciting platform for emerging phenomena with intriguing implications in information technology. Here, based on a multiscale modelling approach that combines first-principles calculations and a Heisenberg model, we demonstrate that interfacing a CrTe$_2$ layer with various Te-based layers enables the control of the magnetic exchange and Dzyaloshinskii-Moriya interactions as well as the magnetic anisotropy energy of the whole heterobilayer, and thereby the emergence of topological magnetic phases such as skyrmions and antiferromagnetic Neel merons. The latter are novel particles in the world of topological magnetism since they arise in a frustrated Neel magnetic environment and manifest as multiples of intertwined hexamer-textures. Our findings pave a promising road for proximity-induced engineering of both ferromagnetic and long-sought antiferromagnetic chiral objects in the very same 2D material, which is appealing for new information technology devices employing quantum materials.

cond-mat.mtrl-sci↗

arXiv2022

Microscopic theory of spin-relaxation of a single Fe adatom coupled to substrate vibrations

Understanding the spin-relaxation mechanism of single adatoms is an essential step towards creating atomic magnetic memory bits or even qubits. Here we present an essentially parameter-free theory by combining \textit{ab-initio} electronic and vibrational properties with the many-body nature of atomic states. Our calculations account for the millisecond spin lifetime measured recently on Fe adatoms on MgO/Ag(100) and reproduce the dependence on the number of decoupling layers and the external magnetic field. We show how the atomic interaction with the environment should be tuned in order to enhance the magnetic stability, and propose a clear fingerprint for experimentally detecting a localized spin-phonon excitation.

cond-mat.mes-hall↗

arXiv2022

Noncollinear magnetism in two-dimensional CrTe$_2$

The discovery of two-dimensional (2D) van der Waals magnets opened unprecedented opportunities for the fundamental exploration of magnetism in quantum materials and the realization of next generation spintronic devices. Here, based on a multiscale modelling approach that combines first-principles calculations and a Heisenberg model supplied with ab-initio parameters, we report a strong magnetoelastic coupling in a free-standing monolayer of CrTe$_2$. We demonstrate that different crystal structures of a single CrTe$_2$ give rise to non-collinear magnetism through magnetic frustration and emergence of the Dzyaloshinskii-Moriya interaction (DMI). Utilizing atomistic spin dynamics, we perform a detailed investigation of the complex magnetic properties pertaining to this 2D material impacted by the presence of various types of structural distortions akin to charge density waves.

cond-mat.mes-hall↗

arXiv2022

Generalization of the Landau-Lifshitz-Gilbert equation by multi-body contributions to Gilbert damping for non-collinear magnets

We propose a systematic and sequential expansion of the Landau-Lifshitz-Gilbert equation utilizing the dependence of the Gilbert damping tensor on the angle between magnetic moments, which arises from multi-body scattering processes. The tensor consists of a damping-like term and a correction to the gyromagnetic ratio. Based on electronic structure theory, both terms are shown to depend on e.g. the scalar, anisotropic, vector-chiral and scalar-chiral products of magnetic moments: $\vec{e}_i\cdot\vec{e}_j$, $(\vec{n}_{ij}\cdot\vec{e}_i)(\vec{n}_{ij}\cdot\vec{e}_j)$, $\vec{n}_{ij}\cdot(\vec{e}_i\times\vec{e}_j)$, $(\vec{e}_i\cdot\vec{e}_j)^2$, $\vec{e}_i\cdot(\vec{e}_j\times\vec{e}_k)$..., where some terms are subjected to the spin-orbit field $\vec{n}_{ij}$ in first and second order. We explore the magnitude of the different contributions using both the Alexander-Anderson model and time-dependent density functional theory in magnetic adatoms and dimers deposited on Au(111) surface.

cond-mat.mtrl-sci↗

arXiv2022

Interplay of magnetic states and hyperfine fields of iron dimers on MgO(001)

Individual nuclear spin states can have very long lifetimes and could be useful as qubits. Progress in this direction was achieved on MgO/Ag(001) via detection of the hyperfine interaction (HFI) of Fe, Ti and Cu adatoms using scanning tunneling microscopy (STM). Previously, we systematically quantified from first-principles the HFI for the whole series of 3d transition adatoms (Sc-Cu) deposited on various ultra-thin insulators, establishing the trends of the computed HFI with respect to the filling of the magnetic s- and d-orbitals of the adatoms and on the bonding with the substrate. Here we explore the case of dimers by investigating the correlation between the HFI and the magnetic state of free standing Fe dimers, single Fe adatoms and dimers deposited on a bilayer of MgO(001). We find that the magnitude of the HFI can be controlled by switching the magnetic state of the dimers. For short Fe- Fe distances, the antiferromagnetic state enhances the HFI with respect to that of the ferromagnetic state. By increasing the distance between the magnetic atoms, a transition towards the opposite behavior is observed. Furthermore, we demonstrate the ability to substantially modify the HFI by atomic control of the location of the adatoms on the substrate. Our results establish the limits of applicability of the usual hyperfine hamiltonian and we propose an extension based on multiple scattering processes.

cond-mat.mes-hall↗

arXiv2022

Reply to 'Comment on "Proper and improper chiral magnetic interactions" '

In our previous Letter [Phys. Rev. B 103, L140408 (2021)], we presented a discussion of the fundamental physical properties of the interactions parameterizing atomistic spin models in connection to first-principles approaches that enable their calculation for a given material. This explained how some of those approaches can apparently lead to magnetic interactions that do not comply with the expected physical properties, such as Dzyaloshinskii-Moriya interactions which are non-chiral and independent of the spin-orbit interaction, and which we consequently termed `improper'. In the preceding Comment [Phys. Rev. B 105, 026401], the authors present arguments based on the distinction between global and local approaches to the mapping of the magnetic energy using first-principles calculations to support their proposed non-chiral Dzyaloshinskii-Moriya interactions and their dismissal of our distinction between `proper' and `improper' magnetic interactions. In this Reply, we identify the missing step in the local approach to the mapping and explain how ignoring this step leads to the identification of magnetic interactions which do not comply with established physical principles and that we have previously termed `improper'.

cond-mat.mtrl-sci↗

arXiv2021

Polarisation-dependent single-pulse ultrafast optical switching of an elementary ferromagnet

The ultimate control of magnetic states of matter at femtosecond (or even faster) timescales defines one of the most pursued paradigm shifts for future information technology. In this context, ultrafast laser pulses developed into extremely valuable stimuli for the all-optical magnetisation reversal in ferrimagnetic and ferromagnetic alloys and multilayers, while this remains elusive in elementary ferromagnets. Here we demonstrate that a single laser pulse with sub-picosecond duration can lead to the reversal of the magnetisation of bulk nickel, in tandem with the expected demagnetisation. As revealed by realistic time-dependent electronic structure simulations, the central mechanism is ultrafast light-induced torques acting on the magnetisation, which are only effective if the laser pulse is circularly polarised on a plane that contains the initial orientation of the magnetisation. We map the laser pulse parameter space enabling the magnetisation switching and unveil rich intra-atomic orbital-dependent magnetisation dynamics featuring transient inter-orbital non-collinear states. Our findings open further perspectives for the efficient implementation of optically-based spintronic devices.

cond-mat.mes-hall↗

arXiv2021

Proper and improper chiral magnetic interactions

Atomistic spin models are of great value for predicting and understanding the magnetic properties of real materials, and extensions of the existing models open routes to new physics and potential applications. The Dzyaloshinskii-Moriya interaction is the prototype for chiral magnetic interactions, and several recent works have uncovered or proposed various types of generalized chiral interactions. However, in some cases the proposed interactions or their interpretation do not comply with basic principles such as being independent of the magnetic configuration from which they are evaluated, or even obeying time-reversal invariance. In this letter, we present a simple explanation for the origin of these puzzling findings, and point out how to resolve them.

cond-mat.mtrl-sci↗

arXiv2021

Short period magnetization texture of B20-MnGe explained by thermally fluctuating local moments

B20-type compounds, such as MnSi and FeGe, host helimagnetic and skyrmion phases at the mesoscale, which are canonically explained by the combination of ferromagnetic isotropic interactions with weaker chiral Dzyaloshinskii-Moriya ones. Mysteriously, MnGe evades this paradigm as it displays a noncollinear magnetic state at a much shorter nanometer scale. Here we show that the length scale and volume-dependent magnetic properties of MnGe stem from purely isotropic exchange interactions, generally obtained in the paramagnetic state. Our approach is validated by comparing MnGe with the canonical B20-helimagnet FeGe. The free energy of MnGe is calculated, from which we show how triple-q magnetic states can stabilize by adding higher-order interactions.

cond-mat.mtrl-sci↗

arXiv2020

Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers

Nuclear spins are among the potential candidates prospected for quantum information technology. A recent breakthrough enabled to atomically resolve their interaction with the electron spin, the so-called hyperfine interaction, within individual atoms utilizing scanning tunneling microscopy (STM). Intriguingly, this was only realized for a few species put on a two-layers thick MgO. Here, we systematically quantify from first-principles the hyperfine interactions of the whole series of 3d transition adatoms deposited on various thicknesses of MgO, NaF, NaCl, h--BN and Cu$_2$N films. We identify the adatom-substrate complexes with the largest hyperfine interactions and unveil the main trends and exceptions. We reveal the core mechanisms at play, such as the interplay of the local bonding geometry and the chemical nature of the thin films, which trigger transitions between high- and low-spin states accompanied with subtle internal rearrangements of the magnetic electrons. By providing a general map of hyperfine interactions, our work has immediate implications in future STM investigations aiming at detecting and realizing quantum concepts hinging on nuclear spins.

cond-mat.mes-hall↗