arXiv subjects

Udo Schwingenschlögl

Publications and source records attributed to Udo Schwingenschlögl.

At least 19 recordsLinked to original sources

arXiv2026

Higher-order Hall response arises from octupole order and scalar spin chirality in a noncollinear antiferromagnet

Noncollinear antiferromagnets can generate a transverse electrical response known as the anomalous Hall effect, even though they possess almost no net magnetization. The microscopic origin of this behaviour, however, has remained unclear because conventional measurement geometries mix different contributions to the measured response. Here, we show that applying magnetic fields in selected in-plane directions allows us to disentangle the mechanisms underlying the Hall effect in a representative noncollinear antiferromagnet. By suppressing any dipole-related signal, we isolate a purely octupole-driven Hall response that exhibits a characteristic three-fold angular symmetry. At low magnetic fields, we further observe an additional Hall-like contribution that arises from the scalar spin chirality associated with noncoplanar spin textures. Combining symmetry analysis, first-principles calculations, and transport measurements, we reveal that octupole order, dipole moments, and chirality coexist and contribute in distinct field regimes. These findings establish a framework for identifying and controlling complex magnetic order parameters for spintronic applications.

cond-mat.mes-hall↗

arXiv2025

Manipulating magnetization by orbital current from a light metal Ti

The orbital Hall effect, which does not rely on the spin-orbit coupling, has recently emerged as a promising mechanism for electrically manipulating magnetization in thin-film ferromagnets. Despite its potential, direct experimental observation of magnetization switching driven by orbital currents has been challenging, primarily because there is no direct exchange coupling between orbital angular momentum and local spin based magnetic moments. In this study, we present a compensated design to directly probe the contribution of orbital currents in the most promising light metal titanium (Ti), where symmetric layer structures allow zeroing out of the net spin current. By varying the thickness of the Ti layer in Ti(t)/Pt/Co/Pt/Co/Pt multilayers, we demonstrate the ability to control the magnetization switching polarity. We deduce the orbital charge conversion efficiency of the Ti layer to be approximately 0.17. These findings not only confirm the presence of the orbital Hall effect in Ti but also suggest that orbital currents may be promising candidates for developing energy-efficient magnetic devices with enhanced performance and scalability.

cond-mat.mtrl-sci↗

arXiv2024

Topological Edge State Nucleation in Frequency Space and its Realization with Floquet Electrical Circuits

We build Floquet-driven capactive circuit networks to realize topological states of matter in the frequency domain. We find the Floquet circuit network equations of motion to reveal a potential barrier which effectively acts as a boundary in frequency space. By implementing a Su-Shrieffer-Heeger Floquet lattice model and measuring the associated circuit Laplacian and characteristic resonances, we demonstrate how topological edge modes can nucleate at such a frequency boundary.

cond-mat.mes-hall↗

arXiv2024

Fluctuation-mediated spin-orbit torque enhancement in the noncollinear antiferromagnet Mn3Ni0.35Cu0.65N

The role of spin fluctuations near magnetic phase transitions is crucial for generating various exotic phenomena, including anomalies in the extraordinary Hall effect, excess spin-current generation through the spin-Hall effect (SHE), and enhanced spin-pumping, amongst others. In this study, we experimentally investigate the temperature dependence of spin-orbit torques (SOTs) generated by Mn3Ni0.35Cu0.65N (MNCN), a member of the noncollinear antiferromagnetic family that exhibits unconventional magnetotransport properties. Our work uncovers a strong and nontrivial temperature dependence of SOTs, peaking near the Néel temperature of MNCN, which cannot be explained by conventional intrinsic and extrinsic scattering mechanisms of the SHE. Notably, we measure a maximum SOT efficiency of 30%, which is substantially larger than that of commonly studied nonmagnetic materials such as Pt. Theoretical calculations confirm a negligible SHE and a strong orbital Hall effect that can explain the observed SOTs. We propose a previously unidentified mechanism wherein fluctuating antiferromagnetic moments trigger the generation of substantial orbital currents near the Néel temperature due to the emergence of scalar spin chirality. Our findings present an approach for enhancing SOTs, which holds promise for magnetic memory applications by leveraging antiferromagnetic spin fluctuations to amplify both orbital and spin currents.

cond-mat.mes-hall↗

arXiv2022

Phase engineering in tantalum sulfide monolayers on Au(111)

We prepare monolayers of tantalum sulfide on Au(111) by evaporation of Ta in a reactive background of H$_2$S. Under sulfur-rich conditions, monolayers of 2H-TaS$_2$ develop, whereas under sulfur-poor conditions TaS forms, a structure that can be derived from 2H-TaS$_2$ by removal of the bottom S layer. We analyse the alignment of the layers with respect to the substrate and the relation with the domains in the Au(111) herringbone reconstruction using scanning tunneling microscopy (STM). With the help of density functional theory (DFT) calculations we can determine the registry of the two phases with the substrate. We develop a growth process that allows preparation of uniquely oriented 2H-TaS$_2$ on Au(111). 2H-TaS$_2$ and TaS have a remarkably similar in-plane lattice structure and we observe the formation of lateral 2H-TaS$_2$-TaS heterostructures with atomically well-defined and defect-free boundaries. We observe mirror twin boundaries within 2H-TaS$_2$ along the S- and Ta-edge.

cond-mat.mtrl-sci↗

arXiv2022

Lattice Instability and Ultralow Lattice Thermal Conductivity of Layered PbIF

Understanding the interplay between various design strategies (for instance, bonding heterogeneity and lone pair induced anharmonicity) to achieve ultralow lattice thermal conductivity ($κ_l$) is indispensable for discovering novel functional materials for thermal energy applications. In the present study, we investigate layered PbXF (X = Cl, Br, I), which offers bonding heterogeneity through the layered crystal structure, anharmonicity through the Pb$^{2+}$ $6s^2$ lone pair, and phonon softening through the mass difference between F and Pb/X. The weak inter-layer van der Waals bonding and the strong intra-layer ionic bonding with partial covalent bonding result in a significant bonding heterogeneity and a poor phonon transport in the out-of-plane direction. Large average Grüneisen parameters ($\geq$ 2.5) demonstrate strong anharmonicity. The computed phonon dispersions show flat bands, which suggest short phonon lifetimes, especially for PbIF. Enhanced Born effective charges are due to cross-band-gap hybridization. PbIF shows lattice instability at a small volume expansion of 0.1$\%$. The $κ_l$ values obtained by the two channel transport model are 20-50$\%$ higher than those obtained by solving the Boltzmann transport equation. Overall, ultralow $κ_l$ values are found at 300 K, especially for PbIF. We propose that the interplay of bonding heterogeneity, lone pair induced anharmonicity, and constituent elements with high mass difference aids the design of low $κ_l$ materials for thermal energy applications.

cond-mat.mtrl-sci↗

arXiv2022

Observation of cnoidal wave localization in non-linear topolectric circuits

We observe a localized cnoidal (LCn) state in an electric circuit network. Its formation derives from the interplay of non-linearity and the topology inherent to a Su-Schrieffer-Heeger (SSH) chain of inductors. Varicap diodes act as voltage-dependent capacitors, and create a non-linear on-site potential. For a sinusoidal voltage excitation around midgap frequency, we show that the voltage response in the non-linear SSH circuit follows the Korteweg-de Vries equation. The topological SSH boundary state which relates to a midgap impedance peak in the linearized limit is distorted into the LCn state in the non-linear regime, where the cnoidal eccentricity decreases from edge to bulk.

cond-mat.mes-hall↗

arXiv2021

Protected valley states and generation of valley- and spin-polarized current in monolayer MA2Z4

The optical selection rules obeyed by two-dimensional materials with spin-valley coupling enable the selective excitation of carriers. We show that six members of the monolayer MA2Z4 (M = Mo and W; A = C, Si, and Ge; Z = N, P, and As) family are direct band-gap semiconductors with protected valley states and that circularly polarized infrared light can induce valley-selective inter-band transitions. Our optovalleytronic device demonstrates a close to 100% valley- and spin-polarized current under in-plane bias and circularly polarized infrared light, which can be exploited to encode, process, and store information.

cond-mat.mtrl-sci↗

arXiv2020

Topologically stable bimerons and skyrmions in vanadium dichalcogenide Janus monolayers

We investigate the magnetic phase diagram of 1T-vanadium dichalcogenide monolayers in Janus configuration (VSeTe, VSSe, and VSTe) from first principles. The magnetic exchange, magnetocrystalline anisotropy and Dzyaloshinskii-Moriya interaction (DMI) are computed using density functional theory calculations, while the temperature- and field-dependent magnetic phase diagram is simulated using large-scale atomistic spin modeling in the presence of thermal fluctuations. The boundaries between magnetic ordered phases and paramagnetic phases are determined by cross-analyzing the average topological charge with the magnetic susceptibility and its derivatives. We find that in such Janus monolayers, DMI is large enough to stabilize non-trivial chiral textures. In VSeTe monolayer, an asymmetrical bimeron lattice state is stabilized for in-plane field configuration whereas skyrmion lattice is formed for out-of-plane field configuration. In VSSe monolayer, a skyrmion lattice is stabilized for out-of-plane field configuration. This study demonstrates that non-centrosymmetric van der Waals magnetic monolayers can support topological textures close to room temperature.

cond-mat.mtrl-sci↗

arXiv2020

Second-order topological insulator and fragile topology in topological circuitry simulation

Second-order topological insulators (SOTIs) are the topological phases of matter in d dimensions that manifest (d-2)-dimensional localized modes at the intersection of the edges. We show that SOTIs can be designed via stacked Chern insulators with opposite chiralities connected by interlayer coupling. To characterize the bulk-corner correspondence, we establish a Jacobian-transformed nested Wilson loop method and an edge theory that are applicable to a wider class of higher-order topological systems. The corresponding topological invariant admits a filling anomaly of the corner modes with fractional charges. The system manifests a fragile topological phase characterized by the absence of a Wannier gap in the Wilson loop spectrum. Furthermore, we argue that the proposed approach can be generalized to multilayers. Our work offers perspectives for exploring and understanding higher-order topological phenomena.

cond-mat.mes-hall↗

arXiv2019

The origin of the vanadium dioxide transition entropy

The reversible metal-insulator transition in VO$_2$ at $T_\text{C} \approx 340$ K has been closely scrutinized yet its thermodynamic origin remains ambiguous. We discuss the origin of the transition entropy by calculating the electron and phonon contributions at $T_\text{C}$ using density functional theory. The vibration frequencies are obtained from harmonic phonon calculations, with the soft modes that are imaginary at zero temperature renormalized to real values at $T_\text{C}$ using experimental information from diffuse x-ray scattering at high-symmetry wavevectors. Gaussian Process Regression is used to infer the transformed frequencies for wavevectors across the whole Brillouin zone, and in turn compute the finite temperature phonon partition function to predict transition thermodynamics. Using this method, we predict the phase transition in VO$_2$ is driven five to one by phonon entropy over electronic entropy, and predict a total transition entropy that accounts for $95$ % of the calorimetric value.

cond-mat.mtrl-sci↗

arXiv2017

Thermoelectric properties of the misfit cobaltate Ca$_3$Co$_4$O$_9$

The layered misfit cobaltate Ca$_3$Co$_4$O$_9$, also known as Ca$_2$CoO$_3$[CoO$_2$]$_{1.62}$, is a promising p-type thermoelectric oxide. Employing density functional theory, we study its electronic structure and determine, on the basis of Boltzmann theory within the constant-relaxation-time approximation, the thermoelectric transport coefficients. The dependence on strain and temperature is determined. In particular, we find that the $xx$-component of the thermopower is strongly enhanced, while the $yy$-component is strongly reduced, when applying 2% tensile strain. A similar anisotropy is also found in the power factor. The temperature dependence of the conductivity in the $a$-$b$ plane is found to be rather weak above 200 K, which clearly indicates that the experimentally observed transport properties are dominated by inhomogeneities arising during sample growth, i.e., are not intrinsic.

cond-mat.mtrl-sci↗

arXiv2017

Proximity induced spin-valley polarization in silicene/germanene on F-doped WS$_2$

Silicene and germanene are key materials for the field of valleytronics. However, interaction with the substrate, which is necessary to support the electronically active medium, becomes a major obstacle. In the present work, we propose a substrate (F-doped WS$_2$) that avoids detrimental effects and at the same time induces the required valley polarization, so that no further steps are needed for this purpose. The behavior is explained by proximity effects on silicene/germanene, as demonstrated by first-principles calculations. Broken inversion symmetry due to the presence of WS$_2$ opens a substantial band gap in silicene/germanene. F doping of WS$_2$ results in spin polarization, which, in conjunction with proximity-enhanced spin orbit coupling, creates sizable spin-valley polarization.

cond-mat.mes-hall↗

arXiv2016

Unravelling the interplay of geometrical, magnetic and electronic properties of metal-doped graphene nanomeshes

Graphene nanomeshes (GNMs), formed by creating a superlattice of pores in graphene, possess rich physical and chemical properties. Many of these properties are determined by the pore geometry. In this work, we use first principles calculations to study the magnetic and electronic properties of metal-doped nitrogen-passivated GNMs. We find that the magnetic behaviour is dependent on the pore shape (trigonal vs. hexagonal) as dictated by the number of covalent bonds formed between the 3$d$ metal and the passivating N atoms. We also find that Cr and V doped trigonal-pore GNMs, and Ti doped GNMs are the most favourable for spintronic applications. The calculated magnetic properties of Fe-doped GNMs compare well with recent experimental observations. The studied systems are useful as spin filters and chemical sensors.

cond-mat.mtrl-sci↗

arXiv2016

Defect engineering of the electronic transport through cuprous oxide interlayers

The electronic transport through Au-(Cu$_{2}$O)$_n$-Au junctions is investigated using first-principles calculations and the nonequilibrium Green's function method. The effect of varying the thickness (i.e., $n$) is studied as well as that of point defects and anion substitution. For all Cu$_{2}$O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu$_{2}$O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work.

cond-mat.mtrl-sci↗

arXiv2014

Effect of Gd doping and O deficiency on the Curie temperature of EuO

The effect of Gd doping and O deficiency on the electronic structure, exchange interaction, and Curie temperature of EuO in the cubic and tetragonal phases is studied by means of density functional theory. For both defects, the Curie temperature is found to exhibit a distinct maximum as a function of the defect concentration. The existence of optimal defect concentrations is explained by the interplay of the on-site, RKKY, and superexchange contributions to the magnetism.

cond-mat.str-el↗

arXiv2014

The fate of half-metallicity near interfaces: the case of NiMnSb/MgO and NiMnSi/MgO

The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi and MgO have been investigated using first-principles density-functional calculations with projector augmented wave potentials generated in the generalized gradient approximation. In the case of the NiMnSb/MgO (100) interface the half-metallicity is lost, whereas the MnSb/MgO contact in the NiMnSb/MgO (100) interface maintains a substantial degree of spin polarization at the Fermi level ($\sim 60$%). Remarkably, the NiMnSi/MgO (111) interface shows 100% spin polarization at the Fermi level, despite considerable distortions at the interface, as well as rather short Si/O bonds after full structural optimization. This behavior markedly distinguishes NiMnSi/MgO (111) from the corresponding NiMnSb/CdS and NiMnSb/InP interfaces.

cond-mat.mes-hall↗

arXiv2013

A first principles investigated optical spectra of oxizided graphene

The electronic and optical properties of mono, di, tri, and tetravacancies in graphene are studied in comparison to each other, using density functional theory. In addition, oxidized monovacancies are considered for different oxygen concentrations. Pristine graphene is found to be more absorptive than any defect configuration at low energy. We demonstrate characteristic differences in the optical spectra of the various defects for energies up to 3 eV. This makes it possible to quantify by optical spectroscopy the ratios of the defect species present in a sample.

cond-mat.mes-hall↗