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Ferdinand Evers

Publications and source records attributed to Ferdinand Evers.

At least 19 recordsLinked to original sources

Origin of the superconductor-insulator transition in disordered two-dimensional films

Theory predicts the superconductor-to-insulator transition (SIT) to emerge from the competition between Anderson localization, which tends to localize single-particle wavefunctions, and superconductivity, which establishes long-range correlations in the superconducting order parameter. In two-dimensional (2D) superconducting films, the transition temperature $T_\text{c}$ at which resistance vanishes, $R_\Box(T_\text{BKT}){=}0$, is set by the Berezinskii-Kosterlitz-Thouless (BKT) mechanism and satisfies $T_\text{BKT}< T_{c0}$, where $T_{c0}$ is the mean-field transition temperature. In weakly disordered samples $T_\text{BKT}\lesssim T_{c0}$, whereas increasing disorder drives $T_\text{BKT}\ll T_{c0}$ near the SIT. Whether the finite-temperature transition retains its BKT character throughout this crossover remains an open question. Here, we investigate the evolution of both sheet resistance $R_\Box(T)$ and superfluid stiffness $J_s(T)$ over a wide range of disorder strength $W$. We establish that even near the SIT, the finite-temperature transition from the superconducting to the resistive state remains of BKT type. However, as disorder approaches the critical value, the zero temperature superfluid phase stiffness, $J_s(0)$, is found to vanish rapidly while $T_{c0}$ remains finite, which we attribute to quantum phase fluctuations as the drive for the zero-temperature transition. Three decades after its experimental discovery by Haviland, Liu, and Goldman, our measurements clarify the origin of the SIT in 2D films.

cond-mat.supr-con

Vibrational high-harmonics and period-doubling bifurcation probed by time-resolved electron diffraction

Nanoscale mechanical oscillators exhibit a plethora of nonlinear phenomena with promising applications for the sensing and clocking of processes down to atomic length scales. Oscillator dynamics are typically probed by electrical or optical means, providing only limited access to the spatial profile of the oscillator motion. Here, we introduce event-based convergent beam electron diffraction for the spatio-temporal mapping of nanoscale mechanical resonators in ultrafast transmission electron microscopy. Employing an optically driven silicon membrane resonator at various driving strengths, we gain access to nonlinear processes with increasing complexity, ranging from a simple Duffing behavior to nonlinear multimode coupling and period-doubling bifurcations. The time-resolved diffraction probing approach supports a spatial resolution down to a few nanometers and a temporal resolution of 5 ns and provides quantitative information on the local membrane bending. Because the diffraction signal responds to local displacement gradients, which become more pronounced as resonators shrink, this approach offers a route toward probing nonlinear nanomechanics at the atomic scale.

physics.optics

Nonlinear Circular Dichroism Reveals the Local Berry Curvature

Light-matter interactions are governed by conservation laws of energy and momentum. For harmonic generation in crystalline solids, energy conservation imposes that $m$ incoming photons with energy $\hbar \omega_0$ are combined to form one photon at energy $m\hbar \omega_0$. Linear momentum conservation governs phase matching, whereas angular momentum conservation connects the angular momentum carried by photons to the discrete rotational symmetry of the crystal lattice. As a consequence, circular harmonic generation exerts a torque on the lattice and, conversely, a macroscopic rotation of the crystal induces a nonlinear rotational Doppler shift. These cornerstone laws of nonlinear optics rely on macroscopic symmetry arguments, and therefore provide little insight into the microscopic origin of angular momentum transfer. Here we uncover a direct connection between angular momentum conservation in nonlinear optics and the electronic quantum geometry, by proving that the transferred angular momentum from light to the crystal is proportional to the local Berry curvature at one optical resonance. This relation is encoded in the nonlinear harmonic circular dichroism, which we measure experimentally in an atomically thin semiconductor. With this, we extend our understanding of nonlinear optics, and we establish a method for the all-optical control and read-out of the local Berry curvature.

cond-mat.mes-hall

Fock space fragmentation in quenches of disordered interacting fermions

Hilbert space fragmentation, as it is currently investigated, primarily originates from specific kinematic constraints or emergent conservation laws in many-body systems with translation invariance. It leads to non-ergodic dynamics and possible breakdown of the eigenstate thermalization hypothesis. Here, we demonstrate that also in disordered systems, such as the XXZ model with random on-site fields, fragmentation appears as a natural concept offering fresh perspectives, for example, on many-body delocalization (MBdL). Specifically, we split the Fock-space into subspaces, potential-energy shells, which contain the accessible phase space for the relaxation of a quenched initial state. In this construction, dynamical observables reflect properties of the shell geometry, e.g., the drastic sample-to-sample fluctuations observed in the weak disorder regime, $W W_c$, the potential-energy shell decays into fragments; we argue that, unlike percolation, fragmentation is a strong-coupling scenario with turn-around flow: $W_c(L)$ diverges with increasing system size. We conjecture that the slowing down of the relaxation dynamics reported in traditional MBdL studies is (essentially) a manifestation of Fock-space fragmentation introduced here.

cond-mat.dis-nn

Helical orbitals in electrical uni-directional molecular motors

The generation of unidirectional motion has been a long-standing challenge in engineering of molecular motors. Here, a mechanism driving the rotation is presented based on electron current through helical orbitals on a $\pi$-bonded carbon chain. Such electron current through helical orbitals has been shown to be circulating around the carbon chain. It is natural to expect that the associated electronic angular momentum drives a rotation when the current is turned on. As intuitive as this relation might seem, it is also incomplete because a formal definition of helicality in terms of a physical observable has not yet been given. Such a definition is proposed here. Based on this definition, we show how helicality determines the motor's sense of rotation. We exemplify the relation between helicality and angular momentum in H\"uckel models of linear carbon chains (cumulenes and oligoynes). We attribute the previously reported opposite helicality sense of frontier orbitals (HOMO and LUMO) to the approximate sub-lattice symmetry. For oligoynes, this symmetry is hidden in the sense that it does not reduce to a mere labeling of atoms. Sub-lattice symmetry, combined with time-reversal invariance, allows us to derive Onsager-type reciprocal relations of various linear response coefficients, dictating e.g. an odd energy dependence of angular momentum response to voltage bias. We propose an observable consequence of the approximate sub-lattice symmetry: If the carbon chain is employed as an axle of a molecular rotor, the sense of rotation is independent on the direction of the current.

physics.chem-ph

Entropy Flow at the Quantum Limit

Thermal management is a key challenge, both globally and microscopically in integrated circuits and quantum technologies. The associated heat flow $I_Q$ has been understood since the advent of thermodynamics by a process of elimination, $I_Q{=}I_E{-}\mu I_N$, subtracting from the energy flow $I_E$ its convective contribution. However, in the quantum limit, this formula implies the paradoxical result that the entropy entrained by heat flow is unbounded even though the entropy itself tends to zero. We resolve this conundrum by recognizing that the traditional formula for heat is missing a quantum term. The correct quantum formula predicts that the heat produced in quantum processes is vastly smaller than previously believed, with correspondingly beneficial consequences for the efficiency of quantum machines.

quant-ph

Roadmap on Advancements of the FHI-aims Software Package

Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, reliable predictions are unlikely at any level that follows. The software package FHI-aims has proven to be a game changer for accurate free-energy calculations because of its scalability, numerical precision, and its efficient handling of density functional theory (DFT) with hybrid functionals and van der Waals interactions. It treats molecules, clusters, and extended systems (solids and liquids) on an equal footing. Besides DFT, FHI-aims also includes quantum-chemistry methods, descriptions for excited states and vibrations, and calculations of various types of transport. Recent advancements address the integration of FHI-aims into an increasing number of workflows and various artificial intelligence (AI) methods. This Roadmap describes the state-of-the-art of FHI-aims and advancements that are currently ongoing or planned.

cond-mat.mtrl-sci

An electrical molecular motor driven by angular momentum transfer

The generation of unidirectional motion has been a long-standing challenge in engineering of molecular motors and, more generally, machines. A molecular motor is characterized by a set of low energy states that differ in their configuration, i.e. position or rotation. In biology and Feringa-type motors, unidirectional motion is driven by excitation of the molecule into a high-energy transitional state followed by a directional relaxation back to a low-energy state. Directionality is created by a steric hindrance for movement along one of the directions on the path from the excited state back to a low energy state. Here, we showcase a principle mechanism for the generation of unidirectional rotation of a molecule without the need of steric hindrance and transitional excited states. The chemical design of the molecule consisting of a platform, upright axle and chiral rotor moiety enables a rotation mechanism that relies on the transfer of orbital angular momentum from the driving current to the rotor. The transfer is mediated via orbital currents that are carried by helical orbitals in the axle.

physics.chem-ph

Molecular Transport

Single-molecule junctions - nanoscale systems where a molecule is connected to metallic electrodes - offer a unique platform for studying charge, spin and energy transport in non-equilibrium many-body quantum systems, with few parallels in other areas of condensed matter physics. Over the past decades, these systems have revealed a wide range of remarkable quantum phenomena, including quantum interference, non-equilibrium spin-crossover, diode-like behavior, or chiral-induced spin selectivity, among many others. To develop a detailed understanding, it turned out essential to have available ab initio-based tools for accurately describing quantum transport in such systems. They need to be capable of capturing the intricate electronic structure of molecules, sometimes in the presence of electron-electron or electron-phonon interactions, in out-of-equilibrium environments. Such tools are indispensable also for experimentally observed phenomena explained in terms of parametrized tight-binding models for the quantum transport problem. While FHI-aims also offers specialized transport routines, e.g. for chemically functionalized nanotubes or nanotube networks, our focus in this section is on the AITRANSS package designed for simulations of single-molecule transport. AITRANSS is an independent post-processing tool that combined with FHI-aims enables the calculation of electronic transport properties, as well as atom-projected density of states, spin properties and the simulation of scanning tunneling microscope images in molecular junctions. Pilot versions of the code extend some of these capabilities to non-linear transport in the applied bias, with plans to include these features in future releases of the package.

cond-mat.mes-hall

Spin conductances and magnetization production in chiral molecular junctions

Motivated by experimental reports on chirality induced spin selectivity, we investigate a minimal model that allows us to calculate the charge and spin conductances through helical molecules analytically. The spin-orbit interaction is assumed to be non-vanishing on the molecule and negligible in the reservoirs (leads). The band-structure of the molecule features four helical modes with spin-momentum locking that are analogous of edge-currents in the quantum spin Hall effect. While charge is conserved and therefore the charge current is independent of where it is measured, - reservoirs or molecule, - our detailed calculations reveal that the spin currents in the left and right lead are equal in magnitudes but with opposite signs (in linear response). We predict that transport currents flowing through helical molecules are accompanied by a spin accumulation in the contact region with the same magnetization direction for source and drain. Further, we predict that the spin-conductance can be extracted directly from measuring the (quasi-static) spin accumulation - rather than the spin current itself, which is very challenging to obtain experimentally.

cond-mat.mes-hall

Inelastic electron-light scattering at dielectric thin films

In a recently developed methodology termed photon induced near-field electron microscopy (PINEM), the inelastic scattering of electrons off illuminated nanostructures provides direct experimental access to the structure of optical near-field modes and their population. Whereas the inelastic scattering probability can be quantitatively linked to the near field distribution, analytical results for simple light scattering geometries are scarce. Here we derive a fully analytical expression for the coupling strength between free electrons and optical near-fields in planar geometries representing dielectric thin films. Contributions to the overall coupling from the electric field above, below and within the sample are analyzed in detail. By carefully choosing the relative angles between electron beam, light and thin film and by accounting for a broad spectrum of photon energies, we demonstrate that one can imprint optical material properties like the reflectivity onto the electron energy distribution.

cond-mat.mes-hall

Giant DC Residual Current Generated by Subcycle Laser Pulses

Experimental indications have been reported suggesting that laser pulses shining on materials with relativistic dispersion can produce currents that survive long after the illumination has died out. Such residual currents ('remnants') have applications in petahertz logical gates. The remnants' strength strongly depends on the pulse-shape. We develop an analytical formula that allows to optimize the pulse-shape for remnant production; we predict remnants exceeding the values observed so far by orders of magnitude. In fact, remnants can be almost as strong as the peak current under irradiation.

physics.optics

The internal clock of many-body delocalization

After a decade of many claims to the opposite, there now is a growing consensus that generic disordered quantum wires, e.g. the XXZ-Heisenberg chain, do not exhibit many-body localization (MBL) - at least not in a strict sense within a reasonable window of disorder values $W$. Specifically, computational studies of short wires exhibit an extremely slow but unmistakable flow of physical observables with increasing time and system size (``creep") that is consistently directed away from (strict) localization. Our work sheds fresh light on delocalization physics: Strong sample-to-sample fluctuations indicate the absence of a generic time scale, i.e. of a naive ``clock rate"; however, the concept of an ``internal clock" survives, at least in an ensemble sense. Specifically, we investigate the relaxation of the imbalance $\mathcal{I}(t)$ and its temporal fluctuations $\mathcal{F}(t)$, the entanglement and Renyi entropies, $\mathcal{S}_{\mathrm{e}}(t)$ and $ \mathcal{S}_2(t)$, in a 1D system of interacting disordered fermions. We observe that adopting $\mathcal{S}_{\mathrm{e}}(t), \mathcal{S}_2(t)$ as a measure for the internal time per sample reduces the sample-to-sample fluctuations but does not eliminate them. However, a (nearly) perfect collapse of the average $\overline{\mathcal{I}}(t)$ and $\overline{\mathcal{F}}(t)$ for different $W$ is obtained when plotted against $\overline{\mathcal{S}}_{\mathrm{e}}(t)$ or $\overline{\mathcal{S}}_2(t)$, indicating that the average entropy appropriately models the ensemble-averaged internal clock. We take the tendency for faster-than-logarithmic growth of $\overline{\mathcal{S}}_{\mathrm{e}}(t)$ together with smooth dependency on $W$ of all our observables within the entire simulation window as support for the cross-over scenario, discouraging an MBL transition within the traditional parametric window of computational studies.

cond-mat.dis-nn

Chirality-controlled spin scattering through quantum interference

Chirality-induced spin selectivity has been reported in many experiments, but a generally accepted theoretical explanation has not yet been proposed. Here, we introduce a simple model system of a straight cylindrical free-electron wire, containing a helical string of atomic scattering centers, with spin-orbit interaction. The advantage of this simple model is that it allows deriving analytical expressions for the spin scattering rates, such that the origin of the effect can be easily followed. We find that spin-selective scattering can be viewed as resulting from constructive interference of partial waves scattered by the spin-orbit terms. We demonstrate that forward scattering rates are independent of spin, while back scattering is spin dependent over wide windows of energy. Although the model does not represent the full details of electron transmission through chiral molecules, it clearly reveals a mechanism that could operate in chiral systems.

cond-mat.mes-hall

Low-scaling GW algorithm applied to twisted transition-metal dichalcogenide heterobilayers

The $GW$ method is widely used for calculating the electronic band structure of materials. The high computational cost of $GW$ algorithms prohibits their application to many systems of interest. We present a periodic, low-scaling and highly efficient $GW$ algorithm that benefits from the locality of the Gaussian basis and the polarizability. The algorithm enables $G_0W_0$ calculations on a MoSe$_2$/WS$_2$ bilayer with 984 atoms per unit cell, in 42 hours using 1536 cores. This is four orders of magnitude faster than a plane-wave $G_0W_0$ algorithm, allowing for unprecedented computational studies of electronic excitations at the nanoscale.

physics.chem-ph

Influence of chirp and carrier-envelope phase on non-integer high-harmonic generation

High harmonic generation (HHG) is a versatile technique for probing ultrafast electron dynamics. While HHG is sensitive to the electronic properties of the target, HHG also depends on the waveform of the laser pulse. As is well known, (peak) positions, $ω$, in the high-harmonic spectrum can shift when the carrier envelope phase (CEP), $φ$ is varied. We derive formulae describing the corresponding parametric dependencies of CEP shifts; in particular, we have a transparent result for the (peak) shift, $dω/dφ= {-} 2 \bar{\mathfrak f}' ω/ω_0$, where $ω_0$ describes the fundamental frequency and $\bar{\mathfrak f}'$ characterizes the chirp of the driving laser pulse. We compare the analytical formula to full-fledged numerical simulations finding only 17 % average relative absolute deviation in $dω/dφ$. Our analytical result is fully consistent with experimental observations.

physics.optics

Current-induced mechanical torque in chiral molecular rotors

A great endeavor has been undertaken to engineer molecular rotors operated by an electrical current. A frequently met operation principle is the transfer of angular momentum taken from the incident flux. In this paper we present an alternative driving agent that works also in situations where angular momentum of the incoming flux is conserved. This situation arises typically with molecular rotors that exhibit an easy axis of rotation. For quantitative analysis we investigate here a classical model, where molecule and wires are represented by a rigid curved path. We demonstrate that in the presence of chirality the rotor generically undergoes a directed motion, provided that the incident current exceeds a threshold value. Above threshold, the corresponding rotation frequency (per incoming particle current) for helical geometries turns out to be $2πm/M_1$, where $m/M_1$ is the ratio of the mass of an incident charge carrier and the mass of the helix per winding number.

cond-mat.mes-hall

Theory of Chirality Induced Spin Selectivity: Progress and Challenges

We provide a critical overview of the theory of the chirality-induced spin selectivity (CISS) effect, i.e., phenomena in which the chirality of molecular species imparts significant spin selectivity to various electron processes. Based on discussions in a recently held workshop, and further work published since, we review the status of CISS effects - in electron transmission, electron transport, and chemical reactions. For each, we provide a detailed discussion of the state-of-the-art in theoretical understanding and identify remaining challenges and research opportunities.

cond-mat.mtrl-sci