arXiv subjects

Maximilian Ünzelmann

Publications and source records attributed to Maximilian Ünzelmann.

8 recordsLinked to original sources

arXiv2026

Orbital Hall Effect in Weyl Semimetals from quantum geometric band interference

Orbital angular momentum (OAM) transport in solids, prominently manifested in the orbital Hall effect, has emerged as a fundamental phenomenon that can decisively exceed its spin-based counterparts. However, the microscopic mechanisms governing OAM dynamics remain only partially understood. In particular, the role of band geometry in orbital transport is still largely unresolved. Here we address this question in the TaAs family of Weyl semimetals, TaAs, TaP, NbAs, and NbP, whose well-established topology and associated OAM textures make them an ideal platform in this context. Using ab initio density functional theory, complemented by a minimal Weyl model based on adiabatic perturbation theory, we establish --- both numerically and analytically --- a direct link between OAM transport, band geometry, and topological electronic structure.

cond-mat.mtrl-sci↗

arXiv2026

Chiral Phonons Coupled to Spin-Split Bands in Altermagnetic CrSb and MnTe

Altermagnets exhibit momentum-dependent spin splitting without net magnetization, providing a unique platform where magnetic order, electronic structure and lattice dynamics intertwine. Here, using first-principles calculations, we demonstrate that the prototypical altermagnets CrSb and MnTe host locally chiral phonon modes carrying finite phonon angular momentum with a six-lobes $f$-wave texture in momentum space. Our results show that the chiral lattice motion originates from the pnictogen/chalcogen sublattice, while the altermagnetic spin splitting is generated by the magnetic transition-metal atoms, indicating that chiral lattice dynamics and altermagnetic electronic states originate from different atomic sublattices of the same crystal. In pristine compounds, at each valley, inversion symmetry suppresses the net phonon angular momentum despite local circular atomic motion. We further demonstrate that isoelectronic symmetry lowering induced by chemical substitution lifts this cancellation and generates finite valley phonon chirality, while keeping the altermagnetic nature of the compounds intact. Most importantly, we reveal that chiral phonons couple to momentum-dependent spin-split electronic bands through momentum-dependent electron-phonon interaction, producing characteristic modifications of the electronic structure, possibly accessible by photoemission experiments. Our results establish altermagnets as a promising platform for chiral phononics and spin-selective lattice control.

cond-mat.mtrl-sci↗

arXiv2026

Electron-phonon-dominated charge-density-wave fluctuations in TiSe$_2$ accessed by ultrafast nonequilibrium dynamics

The complex phase diagram of 1T-TiSe2 consists of a charge density wave (CDW) below 200 K, and CDW fluctuations of still unknown origin at higher temperatures. Here, we use time-resolved extreme ultraviolet momentum microscopy and density functional perturbation theory to uncover the formation mechanism of CDW fluctuations and their spectral features at 295 K. We investigated the transient dynamics of fluctuations upon nonresonant ultrafast photoexcitation, and directly correlate it with the CDW soft-phonon hardening. Surprisingly, our results show that the coherent amplitude mode modulating ultrafast CDW recovery persists above TCDW, and reveal that CDW fluctuations are dominated by the electron-phonon interaction rather than excitonic correlations as commonly believed. Our findings on these microscopic CDW fluctuations clarify the complex interplay between electronic and lattice degrees of freedom at elevated temperatures and, therefore, could be useful in understanding the nature of the CDW phase transition in 1T-TiSe2 and similar quantum materials.

cond-mat.str-el↗

arXiv2025

Direct experimental access to the bulk band inversion in a topological metamaterial

Topological phases in exciton-polaritons and other metamaterial platforms have attracted significant attention due to their flexibility as Hamiltonian simulators. In previous works, signatures of topology have mainly been investigated from the perspective of edge states - strongly localised modes with exponentially decaying intensity into the bulk. While these edge states have become the hallmark of topological systems as they can facilitate non-reciprocal transport in potential applications, the topology is fundamentally encoded in the bulk band structure. In particular, the momentum-dependence of the eigenstates, i.e., the wave functions, determines the topology, usually reflected in a bulk band inversion. We present a band inversion in the paradigmatic Su-Schrieffer-Heeger (SSH) model, characterised by a reversal of the sublattice symmetry, quantified by the expectation value $\langle σ_\mathrm{x} \rangle$, when going from the centre of the Brillouin zone to the zone boundary. Here, we show direct experimental access to this bulk band inversion in SSH exciton-polariton chains, using two-dimensional momentum-space ($k$-space) mapping - without the need for real-space imaging. This technique enables the direct observation of the momentum-dependent inversion of the sublattice symmetry in the bulk bands, providing a unique perspective on topological phases beyond conventional edge state measurements. Our approach establishes effective momentum-resolved sublattice phase measurements as a powerful tool for accessing the wave function and bulk topology in photonic and polaritonic systems and beyond.

physics.optics↗

arXiv2025

Zero-energy band observation in an interfacial chalcogen-organic network

Structurally-defined molecule-based lattices such as covalent organic or metal-organic networks on substrates, have emerged as highly tunable, modular platforms for two-dimensional band structure engineering. The ability to grow molecule-based lattices on diverse platforms, such as metal dichalcogenides, would further enable band structure tuning and alignment to the Fermi level, which is crucial for the exploration and design of quantum matter. In this work, we study the emergence of a zero-energy band in a triarylamine-based network on semiconducting 1T-TiSe2 at low temperatures, by means of scanning probe microscopy and photoemission spectroscopy, together with density-functional theory. Hybridization between the position-selective nitrogens and selenium p-states results in CN-Se interfacial coordination motifs, leading to a hybrid molecule-semiconductor band at the Fermi level. Our findings introduce chalcogen-organic networks and showcase an approach for the engineering of organic-inorganic quantum matter.

physics.chem-ph↗

arXiv2020

Orbital Fingerprint of Topological Fermi Arcs in a Weyl Semimetal

The monopnictides TaAs and TaP are well-established Weyl semimetals. Yet, a precise assignment of Fermi arcs, accomodating the predicted chiral charge of the bulk Weyl points, has been difficult in these systems, and the topological character of different surface features in the Fermi surface is not fully understood. Here, employing a joint analysis from linear dichroism in angle-resolved photoemission and first-principles calculations, we unveil the orbital texture on the full Fermi surface of TaP(001). We observe pronounced switches in the orbital texture at the projectedWeyl nodes, and show how they facilitate a topological classification of the surface band structure. Our findings establish a critical role of the orbital degrees of freedom in mediating the surface-bulk connectivity in Weyl semimetals.

cond-mat.str-el↗

arXiv2019

Orbital-driven Rashba effect in a binary honeycomb monolayer AgTe

The Rashba effect is fundamental to the physics of two-dimensional electron systems and underlies a variety of spintronic phenomena. It has been proposed that the formation of Rashba-type spin splittings originates microscopically from the existence of orbital angular momentum (OAM) in the Bloch wave functions. Here, we present detailed experimental evidence for this OAM-based origin of the Rashba effect by angle-resolved photoemission (ARPES) and two-photon photoemission (2PPE) experiments for a monolayer AgTe on Ag(111). Using quantitative low-energy electron diffraction (LEED) analysis we determine the structural parameters and the stacking of the honeycomb overlayer with picometer precision. Based on an orbital-symmetry analysis in ARPES and supported by first-principles calculations, we unequivocally relate the presence and absence of Rashba-type spin splittings in different bands of AgTe to the existence of OAM.

cond-mat.mtrl-sci↗

arXiv2018

Chemical Aspects of the Antiferromagnetic Topological Insulator MnBi$_{2}$Te$_{4}$

Crystal growth of MnBi$_{2}$Te$_{4}$ has delivered the first experimental corroboration of the 3D antiferromagnetic topological insulator state. Our present results confirm that the synthesis of MnBi$_{2}$Te$_{4}$ can be scaled-up and strengthen it as a promising experimental platform for studies of a crossover between magnetic ordering and non-trivial topology. High-quality single crystals of MnBi$_{2}$Te$_{4}$ are grown by slow cooling within a narrow range between the melting points of Bi$_{2}$Te$_{3}$ (586 °C) and MnBi$_{2}$Te$_{4}$ (600 °C). Single crystal X-ray diffraction and electron microscopy reveal ubiquitous antisite defects in both cation sites and, possibly, Mn vacancies. Powders of MnBi$_{2}$Te$_{4}$ can be obtained at subsolidus temperatures, and a complementary thermochemical study establishes a limited high-temperature range of phase stability. Nevertheless, quenched powders are stable at room temperature and exhibit long-range antiferromagnetic ordering below 24 K. The expected Mn(II) out-of-plane magnetic state is confirmed by the magnetization, X-ray photoemission, X-ray absorption and linear dichroism data. MnBi$_{2}$Te$_{4}$ exhibits a metallic type of resistivity in the range 4.5-300 K. The compound is an n-type conductor that reaches a thermoelectric figure of merit up to ZT = 0.17. Angle-resolved photoemission experiments provide evidence for a surface state forming a gapped Dirac cone.

cond-mat.mtrl-sci↗