arXiv subjects

Sibylle Gemming

Publications and source records attributed to Sibylle Gemming.

At least 19 recordsLinked to original sources

arXiv2026

Spin- and Angle-resolved Photoelectron Spectroscopy Study of the Quantum Spin Hall Insulator Bismuthene and its Precursor Phase

Recent studies have revealed that a confined bismuth layer at the graphene/SiC interface can be reversibly switched between a topologically trivial precursor phase and the quantum spin Hall insulator bismuthene. Here, we present a detailed spin- and angle-resolved photoelectron spectroscopy study of both structures, resolving the spin texture of their low-energy electronic states. Owing to the strong intrinsic spin-orbit coupling of bismuth and the asymmetric confinement potential at the interface, the valence bands of both structures are Rashba-split. We demonstrate the expected spin-momentum locking for both phases and Kramers' doublets through the investigation of the valence bands' spin polarization at multiple positions in reciprocal space.

cond-mat.mtrl-sci↗

arXiv2026

Quantum confinement in semiconductor random alloys: a case study on Si/SiGe/Si

Local composition fluctuations in random alloys become crucial when one or more dimensions are reduced to the nanoscale. Using extended Hückel theory, we study the semiconductor random alloy SiGe sandwiched between Si due to its relevance for transistor devices. We evaluate the effects of the alloy composition, layer thickness, and local fluctuations of the Ge concentration on the band alignment and the band gap. The results are compared with the finite quantum well model. That model captures the essential physics and can act as a computationally faster alternative.

cond-mat.mes-hall↗

arXiv2026

Graphene-capped bismuthene on SiC as a platform for correlated quantum spin Hall edge states

Epitaxial bismuthene on SiC(0001) hosts symmetry-protected metallic edge states within a large bulk band gap, establishing it as a promising two-dimensional topological insulator for hightemperature quantum spin Hall (QSH) transport. Here we realize bismuthene islands by intercalating Bi beneath zero-layer graphene on SiC(0001) followed by hydrogen treatment, yielding well-defined edges with controlled terminations. Spectroscopic measurements demonstrate that the edge states reside inside the bulk band gap and remain charge neutral. The graphene overlayer interacts only weakly with the bismuthene, preserving its topological character while providing environmental protection. Notably, the one-dimensional edge channels exhibit signatures of enhanced electronic correlations relative to freestanding bismuthene, suggesting proximity-induced modification of the QSH edge physics. These results establish graphene-capped bismuthene as a robust and tunable platform for correlated quantum spin Hall states.

cond-mat.mes-hall↗

arXiv2026

Simulation of Self-Assembled Monolayers of Polyalanine $α$-Helices: Development and Application of an Effective Potential for Film Structure Predictions

Self-assembled monolayers of polyalanine $α$-helices exhibit distinct structural phases with implications for chiral-induced spin selectivity. We combine scanning tunneling microscopy and theoretical modeling to reveal how chiral composition governs supramolecular organization. Enantiopure systems form hexagonal lattices, while racemic mixtures organize into rectangular phases with stripe-like features. Our interaction potentials derived from density-functional based tight binding calculations show that opposite-handed helix pairs exhibit stronger binding and closer packing, explaining the denser racemic structures. Crucially, we demonstrate that the observed STM contrast arises from anti-parallel alignment of opposite-handed helices rather than physical height variations. These findings establish fundamental structure-property relationships for designing peptide-based spintronic materials.

physics.comp-ph↗

arXiv2025

Reversible Switching of the Environment-Protected Quantum Spin Hall Insulator Bismuthene at the Graphene/SiC Interface

Quantum Spin Hall Insulators (QSHI) have been extensively studied both theoretically and experimentally because they exhibit robust helical edge states driven by spin-orbit coupling and offer the potential for applications in spintronics through dissipationless spin transport. However, to realize devices, it is indispensable to gain control over the interaction of the active layer with the substrate, and to protect it from environmental influences. Here we show that a single layer of elemental Bi, formed by intercalation of an epitaxial graphene buffer layer on SiC(0001), is a promising candidate for a QSHI. This layer can be reversibly switched between an electronically inactive precursor state and a ``bismuthene state'', the latter exhibiting the predicted band structure of a true two-dimensional bismuthene layer. Switching is accomplished by hydrogenation (dehydrogenation) of the sample, i.e., a partial passivation (activation) of dangling bonds of the SiC substrate, causing a lateral shift of Bi atoms involving a change of the adsorption site. In the bismuthene state, the Bi honeycomb layer is a prospective QSHI, inherently protected by the graphene sheet above and the H-passivated substrate below. Thus, our results represent an important step towards protected QSHI systems beyond graphene.

cond-mat.mes-hall↗

arXiv2024

Complex dynamics in circular and deformed bilayer graphene inspired billiards with anisotropy and strain

While billiard systems of various shapes have been used as paradigmatic model systems in the fields of nonlinear dynamics and quantum chaos, few studies have investigated anisotropic billiards. Motivated by the tremendous advances in using and controlling electronic and optical mesoscopic systems with bilayer graphene representing an easily accessible anisotropic material for electrons when trigonal warping is present, we investigate billiards of various anisotropies and geometries using a trajectory tracing approach founded in the concept of ray-wave correspondence. We find that the presence of anisotropy can render the billiards' dynamics dramatically from its isotropic counterpart. It may induce chaotic and mixed dynamics in otherwise integrable systems, and may stabilize originally unstable trajectories. We characterize the dynamics of anisotropic billiards in real and phase space using Lyapunov exponents and the Poincaré surface of section as phase space representation.

physics.optics↗

arXiv2022

Deposition of nanosized amino acid functionalized bismuth oxido clusters on gold surfaces

Bismuth compounds are of growing interest with regard to potential applications in catalysis, medicine and electronics, for which their environmentally benign nature is one of the key factors. The most common starting material is bismuth nitrate, which easily hydrolyses to give a large number of condensation products. The so-called bismuth subnitrates are composed of bismuth oxido clusters of varying composition and nuclearity. One reason that hampers the further development of bismuth oxido-based materials, however is the low solubility of the subnitrates, which makes targeted immobilisation on substrates challenging. We present an approach towards solubilisation of bismuth oxido clusters by introducing an amino carboxylate as functional group and a study of the growth mode of these atom-precise nanoclusters on gold surfaces. For this purpose the bismuth oxido cluster [Bi38O45(NO3)20(dmso)28](NO3)4*4dmso (dmso=dimethyl sulfoxide) was reacted with the sodium salt of tert-butyloxycabonyl(Boc)-protected phenylalanine (Phe) to give the soluble and chiral nanocluster [Bi38O45(Boc-Phe)24(dmso)9]. The hydrodynamic diameter of the cluster was estimated with (1.4-1.6) nm (in CH3CN) and (2.2 nm-2.9) nm (in Ethanol) based on dynamic light scattering (DLS). The full exchange of the nitrates by the amino carboxylates was proven by NMR and FTIR as well as elemental analysis (EA) and XPS. The solubility of the bismuth oxido cluster in a protic as well as an aprotic polar organic solvent and the growth mode of the clusters on Au upon spin-, dip-, and drop-coating on gold surfaces were studied. Successful deposition of bismuth oxido cluster was proven by powder XRD, FTIR, and XPS while the microstructure of the resulting films was investigated as a function of the deposition method and the solvent used by SEM, AFM, and optical microscopy.

cond-mat.mtrl-sci↗

arXiv2020

Radiative Decay of Dark Exciton Related Emission in a Sandwiched Monolayer WSe2 Revealed by Room Temperature Micro and Nano Photoluminescence

TMDCs have attracted a lot of attention in recent years due to their unique indirect to direct band gap transition from bulk to monolayer thickness. Strong confinement in the out-of-plane direction enhances the Coulomb potential between the charged particles (e-h pairs) and thus increases the exciton binding energy dramatically. The lattice inversion asymmetry in a monolayer creates two non-equivalent (but degenerate in energy) band edges protected by time reversal polarisation via pseudo-spin. However, the presence of strong spin-orbit coupling in the valence band and weak spin-splitting in the conduction band results in the lowest lying exciton in WX2 (X = S, Se) being spin forbidden and optically dark. Because of their long life times, dark excitons (XD) are highly attractive for quantum optics and optoelectronic applications. To date studying XD emission is limited to cryogenic temperature or required very complex experimental configurations to observe them at room temperature (RT). Here, we demonstrate a novel approach of radiative decay of XD related emissions in 1L-WSe2 studied by micro and nano PL at RT. 1L-WSe2 flakes were sandwiched by noble metal (Au or Ag) substrates and PDMS nano-patches providing a strong local out-of-plane dipole moment with respect to the 2D plane. This strong dipole moment not only enhances the XD in WSe2, it also produces bound excitons due to extrinsic charge defects visible at RT. The spatial distributions of these XD related emissions were studied by TEPL with a spatial resolution < 10 nm confirming the confinement of these excitons within the PDMS nano-patches. Finally, by removing the nano-patches from the top of the flakes we are able to recover the bright excitons in the 1L-WSe2. Our approach paves the way for deep understanding and to harness excitonic properties in low dimensional semiconductors, thus offering a platform towards quantum optics.

cond-mat.mes-hall↗

arXiv2020

Autocorrected Off-axis Holography of 2D Materials

The reduced dimensionality in two-dimensional materials leads a wealth of unusual properties, which are currently explored for both fundamental and applied sciences. In order to study the crystal structure, edge states, the formation of defects and grain boundaries, or the impact of adsorbates, high resolution microscopy techniques are indispensible. Here we report on the development of an electron holography (EH) transmission electron microscopy (TEM) technique, which facilitates high spatial resolution by an automatic correction of geometric aberrations. Distinguished features of EH beyond conventional TEM imaging are the gap-free spatial information signal transfer and higher dose efficiency for certain spatial frequency bands as well as direct access to the projected electrostatic potential of the 2D material. We demonstrate these features at the example of h-BN, at which we measure the electrostatic potential as a function of layer number down to the monolayer limit and obtain evidence for a systematic increase of the potential at the zig-zag edges.

cond-mat.mes-hall↗

arXiv2020

Topological Hall effect in single thick SrRuO3 layers induced by defect engineering

The topological Hall effect (THE) has been discovered in ultrathin SrRuO3 (SRO) films, where the interface between the SRO layer and another oxide layer breaks the inversion symmetry resulting in the appearance of THE. Thus, THE only occurs in ultra-thin SRO films of several unit cells. In addition to employing a heterostructure, the inversion symmetry can be broken intrinsically in bulk SRO by introducing defects. In this study THE is observed in 60 nm thick SRO films, in which defects and lattice distortions are introduced by helium ion irradiation. The irradiated SRO films exhibit a pronounced THE in a wide temperature range from 5 K to 80 K. These observations can be attributed to the emergence of Dzyaloshinskii-Moriya interaction as a result of artificial inversion symmetry breaking associated to the lattice defect engineering. The creation and control of the THE in oxide single layers can be realized by ex situ film processing. Therefore, this work provides new insights into the THE and illustrates a promising strategy to design novel spintronics devices.

cond-mat.mtrl-sci↗

arXiv2017

Dynamical universality classes of simple growth and lattice gas models

Large scale, dynamical simulations have been performed for the two dimensional octahedron model, describing the Kardar-Parisi-Zhang (KPZ) for nonlinear, or the Edwards-Wilkinson (EW) class for linear surface growth. The autocorrelation functions of the heights and the dimer lattice gas variables are determined with high precision. Parallel random-sequential (RS) and two-sub-lattice stochastic dynamics (SCA) have been compared. The latter causes a constant correlation in the long time limit, but after subtracting it one can find the same height functions as in case of RS. On the other hand the ordered update alters the dynamics of the lattice gas variables, by increasing (decreasing) the memory effects for nonlinear (linear) models with respect to random-sequential. Additionally, we support the KPZ ansatz and the Kallabis-Krug conjecture in $2+1$ dimensions and provide a precise growth exponent value $β=0.2414(2)$. We show the emergence of finite size corrections, which occur long before the steady state roughness is reached.

cond-mat.stat-mech↗

arXiv2017

Chemical and Electronic Repair Mechanism of Sulfur Defects in MoS$_2$ Monolayers

Using {\em ab initio} density functional theory calculations, we characterize changes in the electronic structure of MoS$_{2}$ monolayers introduced by missing or additional adsorbed sulfur atoms. We furthermore identify the chemical and electronic function of substances that have been reported to reduce the adverse effect of sulfur vacancies in quenching photoluminescence and reducing electronic conductance. We find that thiol-group containing molecules adsorbed at vacancy sites may re-insert missing sulfur atoms. In presence of additional adsorbed sulfur atoms, thiols may form disulfides on the MoS$_{2}$ surface to mitigate the adverse effect of defects.

physics.chem-ph↗

arXiv2017

Suppressing correlations in massively parallel simulations of lattice models

For lattice Monte Carlo simulations parallelization is crucial to make studies of large systems and long simulation time feasible, while sequential simulations remain the gold-standard for correlation-free dynamics. Here, various domain decomposition schemes are compared, concluding with one which delivers virtually correlation-free simulations on GPU Extensive simulations of the octahedron model for $2+1$ dimensional Karda--Parisi--Zhang surface growth, which is very sensitive to correlation in the site-selection dynamics, were performed to show self-consistency of the parallel runs and agreement with the sequential algorithm. We present a GPU implementation providing a speedup of about $30\times$ over a parallel CPU implementation on a single socket and at least $180\times$ with respect to the sequential reference.

physics.comp-ph↗

arXiv2017

Local Scale-Invariance of the 2+1 dimensional Kardar-Parisi-Zhang model

Local Scale-Invariance theory is tested by extensive dynamical simulations of the driven dimer lattice gas model, describing the surface growth of the 2+1 dimensional Kardar-Parisi-Zhang surfaces. Very precise measurements of the universal autoresponse function enabled us to perform nonlinear fitting with the scaling forms, suggested by local scale-invariance (LSI). While the simple LSI ansatz does not seem to work, forms based on logarithmic extension of LSI provide satisfactory description of the full (measured) time evolution of the autoresponse function.

cond-mat.stat-mech↗

arXiv2017

Elastic and Piezoresistive Properties of Nickel Carbides from First-Principles

The nickel--carbon system has received increased attention over the past years due to the relevance of nickel as a catalyst for carbon nanotube and graphene growth, where Nickel carbide intermediates may be involved or carbide interface layers form in the end. Nickel--carbon composite thin films comprising Ni$_3$C are especially interesting in mechanical sensing applications. Due to the meta-stability of nickel carbides, formation conditions and the coupling between mechanical and electrical properties are not yet well understood. Using first-principles electronic structure methods, we calculated the elastic properties of Ni$_3$C, Ni$_2$C and NiC, as well as changes in electronic properties under mechanical strain. We observe that the electronic density of states around the Fermi level does not change under the considered strains of up to 1%, which correspond to stresses up to 3GPa. Relative changes in conductivity of Ni$_3$C range up to maximum values of about 10%.

cond-mat.mtrl-sci↗

arXiv2016

Stirrers and movers actuated by oscillating fields

Locomotion via cyclic moves presents a challenge to mesoscopic objects in overdamped environments, where time reversibility may prevent directed motion. Most reported cyclic movers exploit anisotropic drag to push themselves forward. Under an oscillating drive, however, anisotropic drag enables locomotion only if the objects can change their shape. Here, we present a strategy that unexpectedly enables structurally invariant objects to move under oscillating fields. The objects are self-assembled clusters of magnetic particles that exhibit an off-centered dipole moment. By theoretical modeling and in experiments with magnetic Janus particles, we demonstrate that the interaction between such anisotropic particles in the cluster breaks time reversibility. Experimentally, we show that the magnetic configuration of a cluster determines its motion path. We realize stirrers and steerable movers with helical or directed path using the same particle system. The presented strategy based on internal interactions establishes a counterpart to locomotion via anisotropic drag.

cond-mat.soft↗

arXiv2016

Universality of (2+1)-dimensional restricted solid-on-solid models

Extensive dynamical simulations of Restricted Solid on Solid models in $D=2+1$ dimensions have been done using parallel multisurface algorithms implemented on graphics cards. Numerical evidence is presented that these models exhibit KPZ surface growth scaling, irrespective of the step heights $N$. We show that by increasing $N$ the corrections to scaling increase, thus smaller step-sized models describe better the asymptotic, long-wave-scaling behavior.

cond-mat.stat-mech↗

arXiv2016

Bit-Vectorized GPU Implementation of a Stochastic Cellular Automaton Model for Surface Growth

Stochastic surface growth models aid in studying properties of universality classes like the Kardar--Paris--Zhang class. High precision results obtained from large scale computational studies can be transferred to many physical systems. Many properties, such as roughening and some two-time functions can be studied using stochastic cellular automaton (SCA) variants of stochastic models. Here we present a highly efficient SCA implementation of a surface growth model capable of simulating billions of lattice sites on a single GPU. We also provide insight into cases requiring arbitrary random probabilities which are not accessible through bit-vectorization.

cs.DC↗