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Arthur Ernst

Publications and source records attributed to Arthur Ernst.

At least 19 recordsLinked to original sources

Loss of altermagnetic order and smooth restoration of Kramers' spin degeneracy with increasing temperature in CrSb and MnTe

We describe how thermally induced spin fluctuations modify the electronic structures of two prototypical altermagnets, CrSb and MnTe, via application of the disordered local moment picture. For both materials, our self-consistent, ab initio calculations demonstrate that local magnetic moments persist on Cr and Mn atoms in their paramagnetic states, necessitating a spin-polarised description of the electronic structure even above the N\'eel temperature, $T_\mathrm{N}$. Moreover, Kramers' spin degeneracy, which is broken for both materials in their altermagnetic ground states, is shown to be smoothly restored - on the average - as the local moments thermally disorder. In metallic CrSb, this occurs at temperatures well below $T_\mathrm{N}$ and the signature effects of its altermagnetism are lost as the magnetic disorder induces heavy smearing of strongly dispersive electronic states around the Fermi energy. By contrast, in semiconducting MnTe, with its band gap largely unaffected by magnetic disorder, the spin degeneracy only returns at temperatures close to and above $T_\mathrm{N}$. We quantify the temperature dependence of the altermagnetic order parameter and the underlying electronic structures of both materials, with significant implications for their spin transport properties.

cond-mat.mtrl-sci

Dispersion and lifetimes of magnons in non-collinear magnets from time dependent density functional theory

We investigate the spin dynamics of the non-collinear kagome triangular anti-ferromagnet Mn$_3$Rh using linear response time-dependent density functional theory. To this end, we present a novel first principles computational scheme for the evaluation of the dynamical susceptibility based on the non-collinear KKR Green's functions method and a symbolic computer algebra.This approach allows us to address the Landau decay of spin waves into non-collinear electron-hole Stoner pairs being inaccessible to adiabatic methods. Our calculations reveal three distinct Goldstone modes dispersing linearly in the long-wavelength regime giving rise to the three magnon branches and we discuss their non-trivial spatial polarizations. The spin-waves turn out to be defined in the whole Brillouin zone but their Landau damping becomes substantial away from the zone's center. Surprisingly, magnons of comparable momenta and energies can feature, depending on their chirality, considerably different attenuation, in some cases of predominantly resonant character. We trace this effect to the interplay between the magnon eigenvectors and the intrinsically spin-polarized altermagnetic band structure and the resulting spectrum of non-collinear Stoner states.

cond-mat.mtrl-sci

Dynamical magnetic susceptibility of non-collinear magnets: A novel KKR-based ab initio scheme and its application

A novel implementation of the linear response time-dependent density functional theory addressing spin excitations in non-collinear magnets based on the Korringa-Kohn-Rostoker Green's function method is presented. Following the exposition of the formalism based on the adiabatic local spin density approximation to the exchange-correlation kernel generalized to the noncollinear case, the computational scheme is discussed in detail. The formation of the Goldstone modes in non-collinear susceptibility calculations is elaborated on formally and from the numerical convergence point of view. The scheme is deployed to study the dispersion and Landau damping of magnons in the altermagnetic non-collinear kagome antiferromagnet Mn$_{3}$Ir. The non-monotonous dependence of the damping on the magnon frequency makes the large momentum excitations attractive in the terahertz spintronics. To this end, we analyze the real-time and real-space dynamics of the magnetic modes, including their strongly chirality-dependent attenuation.

cond-mat.mtrl-sci

Noncollinear spin structure in Dy-doped classical ferrimagnet

Noncollinear spin structures have attracted tremendous attention because they offer a versatile platform for spin control and manipulation, essential in spintronics. Realizing noncollinearity in ferrimagnetic insulators is of particular interest as they can be potentially utilized in low-damping spintronics with tunable magnetic order. Within the spinel-ferrite family, Zn and Al-substituted nickel ferrite (NiZAF) has emerged as an excellent choice for low-damping spintronics. However, realizing noncollinearity in such systems remains challenging. Here, we present evidence of noncollinear spin structure in the NiZAF thin films induced by the rare earth Dy-doping, utilizing the soft x-ray spectroscopy methods such as magnetic circular dichroism and x-ray resonant magnetic reflectivity (XRMR). In particular, XRMR reveals a spiral-type spin structure, which is attributed to the Dzyaloshinskii-Moriya interaction, arising due to broken inversion symmetry by the Dy-induced local strain field as confirmed by our theoretical calculations. The realization of noncollinearity in the spinel-ferrite opens pathway to explore the possibility of chiral magnetic domains and topological spin textures exhibiting promise for oxide-based spintronics

cond-mat.mtrl-sci

High temperature Neel skyrmions in simple ferromagnets

A wide variety of chiral non-collinear spin textures have been discovered and have unique properties that make them highly interesting for technological applications. However, many of these are found in complex materials and only in a narrow window of temperature. Here, we show the formation of Neel-type skyrmions in thin layers of simple ferromagnetic alloys, namely Co-Al and Co-Ni-Al, over a wide range of temperature up to 770 K, by imposing a vertical strain gradient via epitaxy with an Ir-Al underlayer. The Neel skyrmions are directly observed using Lorentz transmission electron microscopy in freestanding membranes at high temperatures and the strain gradient is directly measured from x-ray diffraction anomalous peak profiles. Our concept allows simple centrosymmetric ferromagnets with high magnetic ordering temperatures to exhibit hot skyrmions, thereby, bringing closer skyrmionic electronics.

cond-mat.mtrl-sci

Direct identification of local doping effects in Barium-hexaferrite by electron vortex beams

We demonstrate atomic-scale mapping of local magnetic moments and doping effects in Ti-doped barium hexaferrite (BaFe11TiO19) using atom-sized electron vortex beams (EVBs) with controlled orbital angular momentum (OAM) in a scanning transmission electron microscope. By measuring electron energy loss magnetic circular dichroism (EMCD) at the Fe-L2,3 edges, we directly resolve the spatial distribution of antiparallel-aligned magnetic sublattices and quantify the impact of non-magnetic Ti4+ substitution. The EMCD signal, detected from single atomic Fe columns, reveals a marked reduction and sign reversal in the magnetic moment at Ti-rich 4f2 sites, corroborated by inelastic scattering simulations and density functional theory calculations that indicate induced Fe2+ formation and modified exchange interactions. Our results show that EVBs enable direct, element-specific, and atomically resolved magnetic characterization, opening new avenues for investigating local magnetic phenomena and dopant effects in nano-structured magnetic materials, such as those used in spintronic devices. This method paves the way for detailed studies of complex spin textures, magnetic interfaces, and dynamic processes at the atomic scale.

cond-mat.mtrl-sci

Exploring non-collinear magnetic ground states in tetragonal Mn$_2$-based Heusler compounds

Heusler compounds constitute a large family of intermetallic materials notable for their wide variety of properties such as magnetism, multi-ferroicity, nontrivial band topology, superconductivity and so on. Among their magnetic properties one finds a tremendous variety of states from simple ferromagnetism to skyrmion crystals. In most Mn$_2$-based Heuslers the magnetism is typically collinear. An exception is Mn$_2$RhSn in which an unusual ground state with magnetic canting and a temperature-induced spin re-orientation into the collinear ferrimagnetic phase has been reported from experiments. In this work, we employ first-principles calculations and mean field theory to provide a simple account of the unusual phase diagram in this magnet. We also highlight Weyl points in the computed band structure of \mrs\ and the resulting Fermi arcs.

cond-mat.mtrl-sci

Ultrafast demagnetization dynamics of 4f antiferromagnets

We study the ultrafast demagnetization dynamics of LnRh$_2$Si$_2$ (Ln $=$ Pr, Nd, Sm, Gd, Tb, Dy, Ho) antiferromagnets (AFM) after excitation by a laser pulse, using a combination of density functional theory and atomistic spin and spin-lattice dynamics simulations. First, we calculate the Heisenberg interactions using the magnetic force theorem and compare two approaches, where the $4f$ states of the rare earths are treated as frozen core states or as valence states with added correlation corrections. We find marked quantitative differences in terms of predicted Curie temperature for most of the systems, especially for those with large orbital moment of the rare earth cations. This can be attributed to the importance of indirect interactions of the $4f$ states through the Si states, which depend on the binding energy of the $4f$ states and coexists with RKKY-type interactions mediated by the conduction states. However, qualitatively, both approaches agree in terms of the predicted AFM ordering at low temperatures. In the second step, the atomistic dynamics simulations are combined with a heat-conserving two-temperature model, allowing for the calculation of spin and electronic temperatures during the magnetization dynamics simulations. Despite quite different demagnetization times, magnetization dynamics of all studied LnRh$_2$Si$_2$ AFM exhibit similar two-step behavior, in particular, the first fast drop followed by slower demagnetization. We observe that the demagnetization amplitude depends linearly on laser fluence for low fluences, which is in agreement with experimental observations. We also investigate the impact of lattice dynamics on ultrafast demagnetization using coupled atomistic spin-lattice dynamics simulations and a heat-conserving three-temperature model, which confirm linear dependence of magnetisation on laser fluence.

cond-mat.mtrl-sci

Controlling 4f antiferromagnetic dynamics via itinerant electronic susceptibility

Optical manipulation of magnetism holds promise for future ultrafast spintronics, especially with lanthanides and their huge, localized 4f magnetic moments. These moments interact indirectly via the conduction electrons (RKKY exchange), influenced by interatomic orbital overlap, and the conduction electron susceptibility. Here, we study this influence in a series of 4f antiferromagnets, GdT2Si2 (T=Co, Rh, Ir), using ultrafast resonant X-ray diffraction. We observe a twofold increase in ultrafast angular momentum transfer between the materials, originating from modifications in the conduction electron susceptibility, as confirmed by first-principles calculations.

cond-mat.mtrl-sci

Magnons and fundamental magnetic interactions in a ferromagnetic monolayer: The case of Ni monolayer

The experimental investigations of the magnetic interactions in an atomically thin magnetic layer are essential to understand the physics of low-dimensional magnets. The full spectrum of collective magnetic excitations (magnons) would provide an access to these fundamental interactions on the atomic scale. Here in order to be able to excite the magnons by means of spin-polarized electrons we couple a Ni monolayer to one and two atomic layers of Co and probe the full experimental magnon dispersion relation up to the Brillouin zone boundary. Comparing to the results of ab initio calculations we quantify the complex pattern of the magnetic exchange interaction in the Ni monolayer. We show that although the magnons in this system are rather stiff, the Heisenberg exchange coupling between the Ni spins is weak. We unravel the origin of the observed large magnon stiffness constant being a consequence of the small spin density of the Ni atoms.

cond-mat.str-el

Correlation Driven Magnetic Frustration and Insulating Behavior of TiF$_3$

We investigate the halide perovskite TiF$_3$, renowned for its intricate interplay between structure, electronic correlations, magnetism, and thermal expansion. Despite its simple structure, understanding its low-temperature magnetic behavior has been a challenge. Previous theories proposed antiferromagnetic ordering. In contrast, experimental signatures for an ordered magnetic state are absent down to 10~K. Our current study has successfully reevaluated the theoretical modeling of TiF$_3$, unveiling the significance of strong electronic correlations as the key driver for its insulating behavior and magnetic frustration. In addition, our frequency-dependent optical reflectivity measurements exhibit clear signs of an insulating state. Analysis of the calculated magnetic data gives an antiferromagnetic exchange coupling with a net Weiss temperature of order 25~K as well as a magnetic response consistent with a $S$=1/2 local moment per Ti$^{3+}$. Yet, the system shows no susceptibility peak at this temperature scale and appears free of long-range antiferromagnetic order down to 1~K. Extending ab initio modeling of the material to larger unit cells shows a tendency for relaxing into a non-collinear magnetic ordering, with a shallow energy landscape between several magnetic ground states, promoting the status of this simple, nearly cubic perovskite structured material as a candidate spin liquid.

cond-mat.str-el

Quantum information diode based on a magnonic crystal

Exploiting the effect of nonreciprocal magnons in a system with no inversion symmetry, we propose a concept of a quantum information diode, {\it i.e.}, a device rectifying the amount of quantum information transmitted in the opposite directions. We control the asymmetric left and right quantum information currents through an applied external electric field and quantify it through the left and right out-of-time-ordered correlation (OTOC). To enhance the efficiency of the quantum information diode, we utilize a magnonic crystal. We excite magnons of different frequencies and let them propagate in opposite directions. Nonreciprocal magnons propagating in opposite directions have different dispersion relations. Magnons propagating in one direction match resonant conditions and scatter on gate magnons. Therefore, magnon flux in one direction is damped in the magnonic crystal leading to an asymmetric transport of quantum information in the quantum information diode. A quantum information diode can be fabricated from an yttrium iron garnet (YIG) film. This is an experimentally feasible concept and implies certain conditions: low temperature and small deviation from the equilibrium to exclude effects of phonons and magnon interactions. We show that rectification of the flaw of quantum information can be controlled efficiently by an external electric field and magnetoelectric effects.

quant-ph

Quantum magnetic properties and metal-to-insulator transition in chemically doped calcium ruthenate perovskite

Ruthenates provide comprehensive platform to study a plethora of novel properties, such as quantum magnetism, superconductivity and magnetic fluctuation mediated metal-insulator transition. In this article, we provide an overview of quantum mechanical phenomenology in calcium ruthenium oxide with varying compositions. While the stochiometric composition of CaRuO$_{3}$ exhibits non-Fermi liquid behavior with quasi-criticality, chemically doped compounds depict prominent signatures of quantum magnetic fluctuations at low temperature that in some cases are argued to mediate in metal-insulator transition. In the case of cobalt doped- CaRuO$_{3}$, an unusual continuum fluctuation is found to persist deep inside the glassy phase of the material. These observations reflect the richness of ruthenate research platform in the study of quantum magnetic phenomena of fundamental importance.

cond-mat.str-el

Eigenmodes of a disordered FeCo magnonic crystal at finite temperatures

In this report we present a systematic study of the magnonic modes in the disordered Fe$_{0.5}$Co$_{0.5}$ alloy based on the Heisenberg Hamiltonian using two complementary approaches. In order to account for substitutional disorder, on the one hand we directly average the transverse magnetic susceptibility in real space over different disorder configurations and on the other hand we use the coherent potential approximation (CPA). While the method of direct averaging is numerically exact, it is computationally expensive and limited by the maximal size of the supercell which can be simulated on a computer. On the contrary the CPA does not suffer from this drawback and yields a cheap numerical scheme. Therefore, we additionally compare the results of these two approaches and show that the CPA gives very good results for most of the magnetic properties, including the magnon energies and the spatial shape of the eigenmodes. However, it turns out that while reproducing the general trend, the CPA systematically underestimates the disorder induced damping of the magnons. This provides evidence that the physics of impurity scattering in this system is governed by non-local effects missing in the CPA. Finally, we study the real space eigenmodes of the system, including their spatial shapes, and analyze their temperature dependence within the random phase approximation.

cond-mat.dis-nn

Spin waves in alloys at finite temperatures: application for FeCo magnonic crystal

We study theoretically the influence of the temperature and disorder on the spin wave spectrum of the magnonic crystal Fe$_{1-c}$Co$_{c}$. Our formalism is based on the analysis of a Heisenberg Hamiltonian by means of the wave vector and frequency dependent transverse magnetic susceptibility. The exchange integrals entering the model are obtained from the \emph{ab initio} magnetic force theorem. The coherent potential approximation is employed to treat the disorder and random phase approximation in order to account for the softening of the magnon spectrum at finite temperatures. The alloy turns out to exhibit many advantageous properties for spintronic applications. Apart from high Curie temperature, its magnonic bandgap remains stable at elevated temperatures and is largely unaffected by the disorder. We pay particular attention to the attenuation of magnons introduced by the alloying. The damping turns out to be a non-monotonic function of the impurity concentration due to the non-trivial evolution of the value of exchange integrals with the Co concentration. The disorder induced damping of magnons is estimated to be much smaller than their Landau damping.

cond-mat.mtrl-sci

First-principles perspective on magnetic second sound

The fluctuations of the magnetic order parameter, or longitudinal spin excitations, are investigated theoretically in the ferromagnetic Fe and Ni as well as in the antiferromagnetic phase of the pnictide superconductor FeSe. The charge and spin dynamics of these systems is described by evaluating the generalized charge and spin density response function calculated from first-principles linear response time dependent density functional theory within adiabatic local spin density approximation. We observe that the formally non-interacting Kohn-Sham system features strong coupling between the magnetization and charge dynamics in the longitudinal channel and that the coupling is effectively removed upon the inclusion of the Coulomb interaction in the charge channel and the resulting appearance of plasmons. The longitudinal spin fluctuations acquire a collective character without the emergence of the Goldstone boson, similar to the case of paramagnon excitations in non-magnetic metals like Pd. In ferromagnetic Fe and Ni the longitudinal spin dynamics is governed by interactions between low-energy intraband electron-hole pairs while in quasi two dimensional antiferromagnet FeSe it is dominated by the interband transitions with energies of the order of exchange splitting. In the later material, the collective longitudinal magnetization fluctuations feature well defined energies and long life times for small momenta and appear below the particle-hole continuum. The modes become strongly Landau-damped for growing wave-vectors. We relate our theoretical findings to existing experimental spin-polarized electron energy loss spectroscopy results. In bulk bcc Fe, the longitudinal magnetic modes appear above the typical energies of transverse spin-waves, have energies comparable with the Stoner spin-flip excitation continuum, and are order of magnitude less energetic than the charge dynamics.

cond-mat.str-el

Domain wall induced spin-polarized flat bands in antiferromagnetic topological insulators

A flat band in fermionic system is a dispersionless single-particle state with a diverging effective mass and nearly zero group velocity. These flat bands are expected to support exotic properties in the ground state, which might be important for a wide range of promising physical phenomena. For many applications it is highly desirable to have such states in Dirac materials, but so far they have been reported only in non-magnetic Dirac systems. In this work we propose a realization of topologically protected spin-polarized flat bands generated by domain walls in planar magnetic topological insulators. Using first-principles material design we suggest a family of intrinsic antiferromagnetic topological insulators with an in-plane sublattice magnetization and a high Néel temperature. Such systems can host domain walls in a natural manner. For these materials, we demonstrate the existence of spin-polarized flat bands in the vicinity of the Fermi level and discuss their properties and potential applications.

cond-mat.mes-hall

Entanglement balance of quantum $(e,2e)$ scattering processes

The theory of quantum information constitutes the functional value of the quantum entanglement, i.e., quantum entanglement is essential for high fidelity of quantum protocols, while fundamental physical processes behind the formation of quantum entanglement are less relevant for practical purposes. In the present work, we explore physical mechanisms leading to the emergence of quantum entanglement in the initially disentangled system. In particular, we analyze spin entanglement of outgoing electrons in a nonrelativistic quantum $(e,2e)$ collision on a target with one active electron. Our description exploits the time-dependent scattering formalism for typical conditions of scattering experiments, and contrary to the customary stationary formalism operates with realistic scattering states. We quantify the spin entanglement in the final scattering channel through the pair concurrence and express it in terms of the experimentally measurable spin-resolved $(e,2e)$ triple differential cross sections. Besides, we consider Bell's inequality and inspect the regimes of its violation in the final channel. We address both the pure and the mixed initial spin state cases and uncover kinematical conditions of the maximal entanglement of the outgoing electron pair. The numerical results for the pair concurrence, entanglement of formation, and violation of Bell's inequality obtained for the $(e,2e)$ ionization process of atomic hydrogen show that the entangled electron pairs indeed can be formed in the $(e,2e)$ collisions even with spin-unpolarized projectile and target electrons in the initial channel. The positive entanglement balance---the difference between entanglements of the initial and final electron pairs---can be measured in the experiment.

quant-ph