arXiv subjects

A. Ernst

Publications and source records attributed to A. Ernst.

At least 19 recordsLinked to original sources

arXiv2025

Ab initio modeling of resonant inelastic x-ray scattering from Ca2RuO4

The single-layered perovskite Ca$_2$RuO$_4$, characterized by a 4$d^4$ electron configuration, has been studied from first principles using density functional theory (DFT) using the generalized gradient approximation, with inclusion of strong on-site Coulomb interactions and spin-orbit coupling (GGA+SO+$U$), in the framework of the fully relativistic, spin-polarized Dirac linear muffin-tin orbital (LMTO) band-structure method. This approach enabled a comprehensive investigation of the electronic structure of Ca$_2$RuO$_4$ through the modeling of relevant spectra obtained from synchrotron-based techniques widely used to probe electronic properties, with a primary focus on resonant inelastic X-ray scattering (RIXS) at the Ru $L_3$ and O $K$ edges. The calculated spectra were thoroughly analyzed with available experimental data reported in the literature. The good agreement between our results and experimental observations for Ca$_2$RuO$_4$ enables a conclusive interpretation of key features in the spectra obtained from the aforementioned techniques. Consequently, this enables us to describe its electronic properties and to establish a solid theoretical approach suitable for routine modeling of spectra, particularly from RIXS, aimed at characterizing the electronic structure and properties of similar or more complex strongly correlated, technologically relevant materials.

cond-mat.str-el↗

arXiv2025

Re-entrant superconductivity at an oxide heterointerface

A magnetic field typically suppresses superconductivity by either breaking Cooper pairs via the Zeeman effect or inducing vortex formation. However, under certain circumstances, a magnetic field can stabilize superconductivity instead. This seemingly counterintuitive phenomenon is associated with magnetic interactions and has been extensively studied in three-dimensional materials. By contrast, this phenomenon, hinting at unconventional superconductivity, remains largely unexplored in two-dimensional systems, with moir\'e-patterned graphene being the only known example. Here, we report the observation of re-entrant superconductivity (RSC) at the epitaxial (110)-oriented LaTiO3-KTaO3 interface. This phenomenon occurs across a wide range of charge carrier densities, which, unlike in three-dimensional materials, can be tuned in-situ via electrostatic gating. We attribute the re-entrant superconductivity to the interplay between a strong spin-orbit coupling and a magnetic-field driven modification of the Fermi surface. Our findings offer new insights into re-entrant superconductivity and establish a robust platform for exploring novel effects in two-dimensional superconductors.

cond-mat.supr-con↗

arXiv2024

Fragile altermagnetism and orbital disorder in Mott insulator LaTiO$_3$

Based on ab initio calculations, we demonstrate that a Mott insulator LaTiO$_3$ (LTO), not inspected previously as an altermagnetic material, shows the characteristic features of altermagnets, i.e., (i) fully compensated antiferromagnetism and (ii) $\mathbf{k}$-dependent spin-split electron bands in the absence of spin-orbit coupling. The altermagnetic ground state of LTO is protected by the crystal symmetry and specifically ordered $d$-orbitals of Ti ions with the orbital momentum $l=2.$ The altermagnetism occurs when sites of Ti pair in the unit cell are occupied by single electrons with $m=-1,s_{z}=+1/2$ and $m=+1,s_{z}=-1/2$ per site, with $m$ and $s_{z}-$ being the $z-$ component of the orbital momentum and spin, respectively. By further simulating orbital disorder within the Green's function method, we disclose its damaging character on the spin splitting and the resulting altermagnetism. When the single-electron spin-polarized state at each Ti site is contributed almost equally by two or three $t_{2g}$ orbitals, LTO becomes antiferromagnetic. The effect of the spin-orbit coupling, which can cause orbital disorder and suppress altermagnetism, is discussed.

cond-mat.mtrl-sci↗

arXiv2024

Electronic correlations arising from anti-Stoner spin excitations: an ab initio study of itinerant ferro- and antiferromagnet

The anti-Stoner excitations are a spin-flips in which, effectively, an electron is promoted from a minority to a majority spin state, i.e., complementary to Stoner excitations and spin-waves. Since their spectral power is negligible in strong itinerant ferromagnets and they are identically absent in the ferromagnetic Heisenberg model, their properties and role in correlating electrons were hardly investigated so far. On the other hand, they are present in weak ferromagnets, fcc Ni being a prominent example, and both types of spin-flips (down-to-up and up-to-down) must be treated on the equal footing in systems with the degenerate spin up and down bands, in particular antiferromagnets in which case we choose CrSb as a model system. For these two materials we evaluate the strength of the effective interaction between the quasiparticles and the gas of virtual spin-flip excitations. To this end, we compute the corresponding self-energy taking advantage of our novel efficient \textit{ab initio} numerical scheme. We find that in Ni the band-structure renormalization due to the anti-Stoner processes is weaker than the one due to Stoner-type magnons in the majority spin channel but the two become comparable in the minority one. The effect can be traced back primarily to the spectral strength of the respective spin excitations and the densities of the final available quasiparticle states in the scattering process. For the antiferromagnet, the situation is more complex and we observe that the electron-magnon interaction is sensitive not only to these densities of states but critically to the spatial shapes of the coupling magnonic modes as well.

cond-mat.mtrl-sci↗

arXiv2024

Correlations, disorder, and multi-magnon processes in terahertz spin dynamics of magnetic nanostructures: A first-principles investigation

Understanding the profound impact of correlation effects and crystal imperfections is essential for an accurate description of solids. Here we study the role of correlation, disorder, and multi-magnon processes in THz magnons. Our findings reveal that a significant part of the electron self-energy, which goes beyond the adiabatic local spin density approximation, arises from the interaction between electrons and a virtual magnon gas. This interaction leads to a substantial modification of the exchange splitting and a renormalization of magnon energies, in agreement with the experimental data. We establish a quantitative hierarchy of magnon relaxation processes based on first principles.

cond-mat.mtrl-sci↗

arXiv2024

Performance of a First Full-Size WOM-Based Liquid Scintillator Detector Cell as Prototype for the SHiP Surrounding Background Tagger

As a prototype detector for the SHiP Surrounding Background Tagger (SBT), we constructed a cell (120 cm x 80 cm x 25 cm) made from corten steel that is filled with liquid scintillator (LS) composed of linear alkylbenzene (LAB) and 2,5-diphenyloxazole (PPO). The detector is equipped with two Wavelength-shifting Optical Modules (WOMs) for light collection of the primary scintillation photons. Each WOM consists of an acrylic tube that is dip-coated with a wavelength-shifting layer on its surface. Via internal total reflection, the secondary photons emitted by the molecules of the wavelength shifter are guided to a ring-shaped array of 40 silicon photomultipliers (SiPMs) coupled to the WOM for light detection. The granularity of these SiPM arrays provides an innovative method to gain spatial information on the particle crossing point. Several improvements in the detector design significantly increased the light yield with respect to earlier proof-of-principle detectors. We report on the performance of this prototype detector during an exposure to high-energy positrons at the DESY II test beam facility by measuring the collected integrated yield and the signal time-of-arrival in each of the SiPM arrays. The resulting detection efficiency and reconstructed energy deposition of the incident positrons are presented, as well as the spatial and time resolution of the detector. These results are then compared to Monte Carlo simulations.

physics.ins-det↗

arXiv2024

Emerging two-dimensional conductivity at Mott-band insulator interface

Intriguingly conducting perovskite interfaces between ordinary band insulators are widely explored, whereas similar interfaces with Mott insulators are still not quite understood. Here we address the (001), (110), and (111) interfaces between the LaTiO$_{3}$ Mott- and large band gap KTaO$_{3}$ insulators. Based on first-principles calculations, we reveal a mechanism of interfacial conductivity, which is distinct from a formerly studied one applicable to interfaces between polar wide band insulators. Here the key factor causing conductivity is the matching of oxygen octahedra tilting in KTaO$_{3}$ and LaTiO$_{3}$ which, due to a small gap in the LaTiO$_{3}$ results in its sensitivity to the crystal structure, yields metalization of its overlayer and following charge transfer from Ti to Ta. Our findings, also applicable to other Mott insulators interfaces, shed light on the emergence of conductivity observed in LaTiO$_{3}$/KTaO$_{3}$~(110) where the ''polar`` arguments are not applicable and on the emergence of superconductivity in these structures.

cond-mat.mtrl-sci↗

arXiv2024

Temperature Dependence of Relativistic Valence Band Splitting Induced by an Altermagnetic Phase Transition

Altermagnetic (AM) materials exhibit non-relativistic, momentum-dependent spin-split states, ushering in new opportunities for spin electronic devices. While the characteristics of spin-splitting have been documented within the framework of the non-relativistic spin group symmetry, there has been limited exploration of the inclusion of relativistic symmetry and its impact on the emergence of a novel spin-splitting in the band structure. This study delves into the intricate relativistic electronic structure of an AM material, alpha-MnTe. Employing temperature-dependent angle-resolved photoelectron spectroscopy across the AM phase transition, we elucidate the emergence of a relativistic valence band splitting concurrent with the establishment of magnetic order. This discovery is validated through disordered local moment calculations, modeling the influence of magnetic order on the electronic structure and confirming the magnetic origin of the observed splitting. The temperature-dependent splitting is ascribed to the advent of relativistic spin-splitting resulting from the strengthening of AM order in alpha-MnTe as the temperature decreases. This sheds light on a previously unexplored facet of this intriguing material.

cond-mat.mtrl-sci↗

arXiv2023

Plasmonic skyrmion quantum thermodynamics

The primary obstacle in the field of quantum thermodynamics revolves around the development and practical implementation of quantum heat engines operating at the nanoscale. One of the key challenges associated with quantum working bodies is the occurrence of "quantum friction," which refers to irreversible wasted work resulting from quantum inter-level transitions. Consequently, the construction of a reversible quantum cycle necessitates the utilization of adiabatic shortcuts. However, the experimental realization of such shortcuts for realistic quantum substances is exceedingly complex and often unattainable. In this study, we propose a quantum heat engine that capitalizes on the plasmonic skyrmion lattice. Through rigorous analysis, we demonstrate that the quantum skyrmion substance, owing to its topological protection, exhibits zero irreversible work. Consequently, our engine operates without the need for adiabatic shortcuts. We checked by numerical calculations and observed that when the system is in the quantum skyrmion phase, the propagated states differ from the initial states only by the geometricl and dynamical phases. The adiabacit evoluation leads to the zero transition matrix elements and zero irreversible work. By employing plasmonic mods and an electric field, we drive the quantum cycle. The fundamental building blocks for constructing the quantum working body are individual skyrmions within the plasmonic lattice. As a result, one can precisely control the output power of the engine and the thermodynamic work accomplished by manipulating the number of quantum skyrmions present.

quant-ph↗

arXiv2023

Topological entanglement entropy to identify topological order in quantum skyrmions

We study the topological entanglement entropy and scalar chirality of a topologically ordered skyrmion formed in a two-dimensional triangular lattice. Scalar chirality remains a smooth function of the magnetic field in both helical and quantum skyrmion phases. In contrast, topological entanglement entropy remains almost constant in the quantum skyrmion phase, whereas it experiences enhanced fluctuations in the helical phase. Therefore, topological entanglement entropy is an effective tool to distinguish between the two phases and pinpoint the quantum phase transition in the system.

cond-mat.str-el↗

arXiv2023

Superconducting Diode sensor

We study the superconducting Josephson junction diode operating via the magnetic field of skyrmions. Inspired by the near-field optical microscopy, we propose to partially screen the magnetic field and analyze part-by-part the magnetic texture of the skyrmion. The detected asymmetric supercurrent is influenced by the skyrmionic magnetic field and magnetic texture. This enables the Josephson junction diode to function as a hyperfine sensor and to read out the information about the morphology of the complex magnetic textures. The proposed setup opens a new avenue in magnetometry and represents an alternative to the technologies based on the nitrogen-vacancy centers.

cond-mat.supr-con↗

arXiv2023

Insight into the electronic structure of the centrosymmetric skyrmion magnet GdRu$_2$Si$_2$

The discovery of a square magnetic-skyrmion lattice in GdRu$_2$Si$_2$, with the smallest so far found skyrmion diameter and without a geometrically frustrated lattice, has attracted significant attention, particularly for potential applications in memory devices and quantum computing. In this work, we present a comprehensive study of surface and bulk electronic structures of GdRu$_2$Si$_2$ by utilizing momentum-resolved photoemission (ARPES) measurements and first-principles calculations. We show how the electronic structure evolves during the antiferromagnetic transition when a peculiar helical order of 4$f$ magnetic moments within the Gd layers sets in. A nice agreement of the ARPES-derived electronic structure with the calculated one has allowed us to characterize the features of the Fermi surface (FS), unveil the nested region along the $k_z$ at the corner of the 3D FS, and reveal their orbital compositions. Our findings suggest that the Ruderman-Kittel-Kasuya-Yosida interaction plays a decisive role in stabilizing the spiral-like order of Gd 4$f$ moments responsible for the skyrmion physics in GdRu$_2$Si$_2$. Our results provide a deeper understanding of electronic and magnetic properties of this material, which is crucial for predicting and developing novel skyrmion-based devices.

cond-mat.mtrl-sci↗

arXiv2023

Superconductivity at epitaxial LaTiO3-KTaO3 interfaces

Design of epitaxial interfaces is a pivotal way to engineer artificial structures where new electronic phases can emerge. Here we report a systematic emergence of interfacial superconducting state in epitaxial heterostructures of LaTiO3 and KTaO3. The superconductivity transition temperature increases with decreasing the thickness of LaTiO3. Such behavior is observed for both (110) and (111) crystal oriented structures. For thick samples, the finite resistance developing below the superconducting transition temperature increases with increasing LaTiO3 thickness. Consistent with previous reports, the (001) oriented heterointerface features high electron mobility of 250 cm2/Vs and shows no superconducting transition down to 40 mK. Our results imply a non-trivial impact of LaTiO3 on the superconducting state and indicate how superconducting KTaO3 interfaces can be integrated with other oxide materials.

cond-mat.mtrl-sci↗

arXiv2023

Topological dynamical quantum phase transition in a quantum skyrmion phase

Quantum skyrmionic phase is modelled in a 2D helical spin lattice. This topological skyrmionic phase retains its nature in a large parameter space before moving to a ferromagnetic phase. Next nearest-neighbour interaction improves the stability and it also causes a shift of the topological phase in the parameter space. Nonanalytic behaviour of the rate function observed, when the system which is initially in a quantum skyrmion phase is quenched to a trivial quantum ferromagnetic phase, indicates a dynamical quantum phase transition. Dynamical quantum phase transition is absent when the system initially in a skyrmion phase is quenched to a helical phase.

cond-mat.str-el↗

arXiv2023

NiSi: New venue for antiferromagnetic spintronics

Envisaging antiferromagnetic spintronics pivots on two key criteria of high transition temperature and tuning of underlying magnetic order using straightforward application of magnetic field or electric current. Here, we show that NiSi metal can provide suitable new platform in this quest. First, our study unveils high temperature antiferromagnetism in single crystal NiSi with $T_{N} \geq 700$ K. Antiferromagnetic order in NiSi is accompanied by the non-centrosymmetric magnetic character with small ferromagnetic component in a-c plane. Second, we find that NiSi manifests distinct magnetic and electronic hysteresis responses to field applications due to the disparity in two moment directions. While magnetic hysteresis is characterized by one-step switching between ferromagnetic states of uncompensated moment, electronic behavior is ascribed to metamagnetic switching phenomena between non-collinear spin configurations. Importantly, the switching behaviors persist to high temperature. The properties underscore the importance of NiSi in the pursuit of antiferromagnetic spintronics.

cond-mat.mtrl-sci↗

arXiv2023

Topological monopole's gauge field induced anomalous Hall effect in artificial honeycomb lattice

Vortex magnetic structure in artificial honeycomb lattice provides a unique platform to explore emergent properties due to the additional Berry phase curvature imparted by chiral magnetization to circulating electrons via direct interaction. We argue that while the perpendicularly-aligned magnetic component leads to the quantized flux of monopole at the center of the Berry sphere, the in-plane vortex circulation of magnetization gives rise to unexpected non-trivial topological Berry phase due to the gauge field transformation. The unprecedented effect signifies the importance of vector potential in multiply-connected geometrical systems. Experimental confirmations to proposed hypotheses are obtained from Hall resistance measurements on permalloy honeycomb lattice. Investigation of the topological gauge transformation due to the in-plane chirality reveals anomalous quasi-oscillatory behavior in Hall resistance $R_{xy}$ as function of perpendicular field. The oscillatory nature of $R_{xy}$ is owed to the fluctuation in equilibrium current as a function of Fermi wave-vector $k_F$, envisaged under the proposed new formulation in this article. Our synergistic approach suggests that artificially tunable nanostructured material provides new vista to the exploration of topological phenomena of strong fundamental importance.

cond-mat.mes-hall↗

arXiv2023

Steering skyrmions with microwave and THz electric pulses

Tools for controlling electrically the motion of magnetic skyrmions are important elements towards their use in spintronic devices. Here, we propose and demonstrate the transport of skyrmions via GHz and THz electric pulses. The method relies on using polarization textured pulses such that the skyrmion experiences (via its inherent magnetoelectricity) the out-of-plane and in-plane components of the pulse electric field. It is shown how the electric field drags efficiently the skyrmion. The control of the skyrmion motion depends solely on the amplitude of electric fields, frequency, polarization, or phase in case two pulses are applied. Micromagnetic calculations supported by analytic modeling and analysis indicate the experimental feasibility of the control scheme.

cond-mat.str-el↗

arXiv2023

Non-local correlation effects due to virtual spin-flip processes in itinerant electron ferromagnets

We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex quantities with quantities from time dependent density functional theory. This results in a simple and affordable algorithm which allows us to consider more complex materials than those usually studied in this context ($3d$ ferromagnets) while still being able to account for the non-locality of the self energy. Furthermore, our approach allows for a relatively simple way to incorporate self-consistency. Our results are in a good agreement with experimental and theoretical findings for iron and nickel. Especially the experimental exchange splitting of nickel is predicted accurately within our theory. Additionally, we study the halfmetallic ferromagnet NiMnSb concerning its non-qusiparticle states appearing in the bandgap due to spin-flip excitations.

cond-mat.mtrl-sci↗