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Patric Rommel

Publications and source records attributed to Patric Rommel.

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Infra-Bayesian Reinforcement Learning Agents Outperform Classical RL For Worst-Case Robustness

Classical reinforcement learning assumes the agent interacts with a fixed environment whose behavior does not depend on the agent's policy. This assumption breaks down in non-realizable settings where other actors might anticipate the agent's behavior, including environments crucial to AI safety, where the agent interacts with predictors, humans, other AI agents, and institutions. In such settings, the agent's model class fails to capture the world in which it operates. Under such misspecification, classical Bayesian methods can produce confidently wrong posteriors, unreliable decisions, and unbounded regret, as realizability fails to obtain. Infra-Bayesianism is a decision-theoretic framework that addresses these failures by distinguishing ordinary probabilistic uncertainty, where priors can be reasonably chosen, from Knightian uncertainty, where no grounds exist for the construction of such a prior. It does so by evaluating actions on their worst-case outcomes, rather than from posterior expectations or weighted averaging. We present the first proof-of-concept implementation of an infra-Bayesian reinforcement learning architecture for finite-outcome stateless decision problems. Our agent maintains a set of imprecise hypotheses, updates them using infra-Bayesian conditioning, and selects actions by maximizing worst-case expected value. We apply this implementation of the infra-Bayesian maximin decision process to an environment with Knightian uncertainty, and demonstrate a lower worst-case regret as compared to classical reinforcement learning agents. We also investigate Newcomb's problem and show that the infra-Bayesian agent picks the optimal strategy, outperforming classical decision theory agents. Our results provide a step towards reinforcement learning agents that remain robust under model misspecification and policy-dependent uncertainty.

cs.LG

Impact of the valence band on Rydberg excitons in cuprous oxide quantum wells

The complex valence band structure of bulk cuprous oxide necessitates going beyond the parabolic approximation to precisely estimate exciton binding energies. The same is true for excitons in cuprous oxide quantum wells, for which many effects have been obtained so far only qualitatively within a hydrogenlike two-band model. Here, we derive the complete Hamiltonian for excitons in cuprous oxide quantum wells based on the Luttinger-Kohn model, taking into account the full complex valence band structure. Symmetry properties of the system are discussed. Numerical results based on the diagonalization of the Hamiltonian using B-spline functions reveal the energy shifts and the lifting of degeneracies due to the nondiagonal coupling terms of the complex valence band. The relative oscillator strengths of the excitonic transitions induced by circularly polarized light are also calculated.

cond-mat.mes-hall

Wavefunctions and oscillator strengths of Rydberg excitons in cuprous oxide quantum wells

We investigate the eigenstates, that is, the wavefunctions of Rydberg excitons in cuprous oxide quantum wells and derive expressions relating them to the oscillator strengths of different exciton states. Using the B-spline expansion, we compute the wavefunctions in coordinate space and estimate the oscillator strengths. The symmetry properties of the states and the non-separability of the wavefunctions are illustrated. Wavefunctions associated with resonances above the scattering threshold, in particular those of bound states in the continuum as well as their partner states, are also given.

cond-mat.mes-hall

Quantum defects of Rydberg excitons in cuprous oxide: A semiclassical spherical model

Excitons, i.e. the bound states of an electron and a positively charged hole are the solid state analogue of the hydrogen atom. As such they exhibit a Rydberg series, which in cuprous oxide has been observed up to high principal quantum numbers by T. Kazimierczuk et al. [Nature 514, 343 (2014)]. In this energy regime the quantum mechanical properties of the system can be understood in terms of classical orbits by the application of semiclassical techniques. In fact the first theoretical explanation of the spectrum of the hydrogen atom within Bohr's atomic model was a semiclassical one using classical orbits and a quantization condition for the angular momentum. Contrary to the hydrogen atom, the degeneracy of states with the same principal quantum number $n$ is lifted in exciton spectra. This is similar to the situation in alkali atoms, where these splittings are caused by the interaction of the excited electron with the ionic core. For excitons in cuprous oxide, these splittings occur due to the influence of the complex band structure of the crystal. Using an adiabatic approach and analytically derived energy surfaces, we develop a semiclassical spherical model and determine, via semiclassical torus quantization, the quantum defects of various angular momentum states.

cond-mat.mes-hall

Bound states in the continuum in cuprous oxide quantum wells

We propose a realistic semiconductor system containing bound states in the continuum (BICs) which allows for a practical realization. By varying the confinement strength of excitons in cuprous oxide quantum wells, we show that long-lived Rydberg states of the confined electron-hole pairs appear in the continuum background. The accuracy of calculations of the linewidths based on the coupled-channel Schr\"odinger equation with three channels and only few basis states is confirmed by a numerically exact solution employing a B-spline basis and the complex coordinate-rotation method. We argue that finite-sized cuprous oxide crystals, due to their large exciton binding energies, are a convenient platform for experimental identification of BICs.

cond-mat.mes-hall

Resonance energies and linewidths of Rydberg excitons in Cu$_2$O quantum wells

Rydberg excitons are the solid-state analog of Rydberg atoms and can, e.g., for cuprous oxide, easily reach a large size in the region of $\mu$m for principal quantum numbers up to $n=25$. The fabrication of quantum well-like structures in the crystal leads to quantum confinement effects and opens the possibility to study a crossover from three-dimensional to two-dimensional excitons. For small widths of the quantum well (QW) there are several well separated Rydberg series between various scattering thresholds leading to the occurrence of electron-hole resonances with finite lifetimes above the lowest threshold. By application of the stabilization method to the parametric dependencies of the real-valued eigenvalues of the original three-dimensional Schr\"{o}dinger equation we calculate the resonance energies and linewidths for Rydberg excitons in QWs in regimes where a perturbative treatment is impossible. The positions and finite linewidths of resonances at energies above the third threshold are compared with the complex resonance energies obtained within the framework of the complex-coordinate-rotation technique. The excellent agreement between the results demonstrates the validity of both methods for intermediate sizes of the QW-like structures, and thus for arbitrary widths.

cond-mat.mes-hall

Classical dynamics and semiclassical analysis of excitons in cuprous oxide

Excitons, as bound states of electrons and holes, embody the solid state analogue of the hydrogen atom, whose quantum spectrum is explained within a classical framework by the Bohr-Sommerfeld atomic model. In a first hydrogenlike approximation the spectra of excitons are also well described by a Rydberg series, however, due to the surrounding crystal environment deviations from this series can be observed. A theoretical treatment of excitons in cuprous oxide needs to include the band structure of the crystal, leading to a prominent fine-structure splitting in the quantum spectra. This is achieved by introducing additional spin degrees of freedom into the system, making the existence and meaningfulness of classical exciton orbits in the physical system a non-trivial question. Recently, we have uncovered the contributions of periodic exciton orbits directly in the quantum mechanical recurrence spectra of cuprous oxide [J. Ertl et al., Phys. Rev. Lett. 129, 067401 (2022)] by application of a scaling technique and fixing the energy of the classical dynamics to a value corresponding to a principle quantum number $n=5$ in the hydrogenlike case. Here, we present a comprehensive derivation of the classical and semiclassical theory of excitons in cuprous oxide. In particular, we investigate the energy dependence of the exciton dynamics. Both the semiclassical and quantum mechanical recurrence spectra exhibit stronger deviations from the hydrogenlike behavior with decreasing energy, which is related to a growing influence of the spin-orbit coupling and thus a higher velocity of the secular motion of the exciton orbits. The excellent agreement between semiclassical and quantum mechanical exciton recurrence spectra demonstrates the validity of the classical and semiclassical approach to excitons in cuprous oxide.

cond-mat.mes-hall

Gaussian-process-regression-based method for the localization of exceptional points in complex resonance spectra

Resonances in open quantum systems depending on at least two controllable parameters can show the phenomenon of exceptional points (EPs), where not only the eigenvalues but also the eigenvectors of two or more resonances coalesce. Their exact localization in the parameter space is challenging, in particular in systems, where the computation of the quantum spectra and resonances is numerically very expensive. We introduce an efficient machine learning algorithm to find exceptional points based on Gaussian process regression (GPR). The GPR-model is trained with an initial set of eigenvalue pairs belonging to an EP and used for a first estimation of the EP position via a numerically cheap root search. The estimate is then improved iteratively by adding selected exact eigenvalue pairs as training points to the GPR-model. The GPR-based method is developed and tested on a simple low-dimensional matrix model and then applied to a challenging real physical system, viz., the localization of EPs in the resonance spectra of excitons in cuprous oxide in external electric and magnetic fields. The precise computation of EPs, by taking into account the complete valence band structure and central-cell corrections of the crystal, can be the basis for the experimental observation of EPs in this system.

quant-ph

Energy states of Rydberg excitons in finite crystals: From weak to strong confinement

Due to quantum confinement, excitons in finite-sized crystals behave rather differently than in bulk materials. We investigate the dependence of energies of Rydberg excitons on the strengths of parabolic as well as rectangular confinement potentials in finite-sized crystals. The evolution of the energy levels of hydrogen-like excitons in the crossover region from weak to strong parabolic confinement is analyzed for different quantum numbers by numerical solution of the two-dimensional Schr\"{o}dinger equation. The energy spectrum of hydrogen-like excitons in Cu$_{2}$O-based rectangular quantum wells is, in turn, obtained numerically from the solution of the three-dimensional Schr\"{o}dinger equation as a function of the quantum well width. Various crossings and avoided crossings of Rydberg energy levels are observed and categorized based on the symmetry properties of the exciton wave function. Particular attention is paid to the two limiting cases of narrow and wide quantum wells attributed to strong and weak confinement, respectively. The energies obtained with the pure Coulomb interaction are compared with the results originating from the Rytova-Keldysh potential, i.e., by taking into account the dielectric contrast in the quantum well and in the barrier.

cond-mat.mes-hall

Signatures of exciton orbits in quantum mechanical recurrence spectra of Cu$_2$O

The seminal work by T. Kazimierczuk et al. [Nature 514, 343 (2014)] has shown the existence of highly excited exciton states in a regime, where the correspondence principle is applicable and quantum mechanics turns into classical mechanics, however, any interpretation of exciton spectra based on a classical approach to excitons is still missing. Here, we close this gap by computing and comparing quantum mechanical and semiclassical recurrence spectra of cuprous oxide. We show that the quantum mechanical recurrence spectra exhibit peaks, which, by application of semiclassical theories and a scaling transformation, can be directly related to classical periodic exciton orbits. The application of semiclassical theories to exciton physics requires the detailed analysis of the classical exciton dynamics, including three-dimensional orbits, which strongly deviate from hydrogenlike Keplerian orbits. Our findings illuminate important aspects of excitons in semiconductors by directly relating the quantum mechanical band-structure splittings of excitons to the corresponding classical exciton dynamics.

cond-mat.mes-hall

Interseries dipole transitions from yellow to green excitons in cuprous oxide

We study dipole interseries transitions between the yellow and green exciton series in cuprous oxide including the complex valence band structure. To this end, we extend previous studies of the spectrum of complex green exciton resonances [Phys. Rev. B 101, 075208 (2020)] to optical transitions between different exciton states in addition to transitions from the crystal ground state. This allows us to augment the calculations on interseries transitions using a hydrogen-like model [Phys. Rev. B 100, 085201 (2019)] by a more comprehensive treatment of the valence band structure.

cond-mat.mes-hall

Exchange interaction in the yellow exciton series of cuprous oxide

We experimentally and numerically investigate the exchange interaction of the yellow excitons in cuprous oxide. By varying the material parameters in the numerical calculations, we can interpret experimental findings and understand their origin in the complex band structure and central-cell corrections. In particular, we experimentally observe the reversal of the ortho- and paraexciton for the $2S$ yellow exciton, and explain this phenomenon by an avoided crossing with the green $1S$ orthoexciton in a detailed numerical analysis. Furthermore, we discuss the exchange splitting as a function of the principal quantum number $n$ and its deviation from the $n^{-3}$ behavior expected from a hydrogenlike model. We also explain why the observed exchange splitting of the green $1S$ exciton is more than twice the splitting of the yellow $1S$ state.

cond-mat.mtrl-sci

Classical and semiclassical description of Rydberg excitons in cuprous oxide

Experimental and theoretical investigations of excitons in cuprous oxide have revealed a significant fine-structure splitting of the excitonic Rydberg states caused by a strong impact of the valence band structure. We provide a semiclassical interpretation of that splitting by investigating the classical dynamics of the excitonic electron-hole pair beyond the hydrogen-like model. Considering the slow motion of Rydberg excitons in coordinate space compared to the fast dynamics of quasispin and hole spin we use an adiabatic approach and energy surfaces in momentum space for the computation of the exciton dynamics. We observe quasi-periodic motion on near-integrable tori. Semiclassical torus quantization yields the energy regions of the fine-structure splitting of $n$-manifolds in agreement with quantum mechanical computations.

cond-mat.mes-hall

Second Harmonic Generation of cuprous oxide in magnetic fields

Recently Second Harmonic Generation (SHG) for the yellow exciton series in cuprous oxide has been demonstrated [J. Mund et al., Phys. Rev. B 98, 085203 (2018)]. Assuming perfect $O_{\mathrm{h}}$ symmetry, SHG is forbidden along certain high-symmetry axes. Perturbations can break this symmetry and forbidden transitions may become allowed. We investigate theoretically the effect of external magnetic fields on the yellow exciton lines of cuprous oxide. We identify two mechanisms by which an applied magnetic field can induce a second harmonic signal in a forbidden direction. First of all, a magnetic field by itself generally lifts the selection rules. In the Voigt configuration, an additional magneto-Stark electric field appears. This also induces certain SHG processes differing from those induced by the magnetic field alone. Complementary to the manuscript by A. Farenbruch et al. [Phys. Rev. B, submitted], we perform a full numerical diagonalization of the exciton Hamiltonian including the complex valence band structure. Numerical results are compared with experimental data.

cond-mat.mes-hall

Green exciton series in cuprous oxide

We numerically investigate the odd parity states of the green exciton series in cuprous oxide. Taking into account the coupling to the yellow series and especially to the yellow continuum, the green excitons are quasi-bound resonances with a finite lifetime which cannot be described with Hermitian operators. To calculate their positions and linewidths, we use the method of complex-coordinate rotation, leading to a non-Hermitian complex eigenvalue problem. We find that the behavior of the dominant P states is very well approximated by a modified Rydberg formula using a negative quantum defect. The corresponding linewidths induced by the coupling to the yellow continuum decrease with the third power of the principal quantum number.

cond-mat.mtrl-sci

Rydberg excitons in electric and magnetic fields obtained with the complex-coordinate-rotation method

The complete theoretical description of experimentally observed magnetoexcitons in cuprous oxide has been achieved by F. Schweiner et al [Phys. Rev. B 95, 035202 (2017)], using a complete basis set and taking into account the valence band structure and the cubic symmetry of the solid. Here, we extend these calculations by investigating numerically the autoionising resonances of cuprous oxide in electric fields and in parallel electric and magnetic fields oriented in [001] direction. To this aim we apply the complex-coordinate-rotation method. Complex resonance energies are computed by solving a non-Hermitian generalised eigenvalue problem, and absorption spectra are simulated by using relative oscillator strengths. The method allows us to investigate the influence of different electric and magnetic field strengths on the position, the lifetime, and the shape of resonances.

cond-mat.mtrl-sci

Magneto-Stark-effect of yellow excitons in cuprous oxide

We investigate and compare experimental and numerical excitonic spectra of the yellow series in cuprous oxide Cu$_2$O in the Voigt configuration and thus partially extend the results from Schweiner et al. [Phys. Rev. B 95, 035202 (2017)], who only considered the Faraday configuration. The main difference between the configurations is given by an additional effective electric field in the Voigt configuration, caused by the motion of the exciton through the magnetic field. This Magneto-Stark effect was already postulated by Gross et al. and Thomas et al. in 1961 [Sov. Phys. Solid State 3, 221 (1961); Phys. Rev. 124, 657 (1961)]. Group theoretical considerations show that the field most of all significantly increases the number of allowed lines by decreasing the symmetry of the system. This conclusion is supported by both the experimental and numerical data.

cond-mat.mtrl-sci

Exciton-phonon interaction breaking all antiunitary symmetries in external magnetic fields

Recent experimental investigations by M. Aßmann et al. [Nature Mater. 15, 741 (2016)] on the spectrum of magnetoexcitons in cuprous oxide revealed the statistics of a Gaussian unitary ensemble (GUE). The model of F. Schweiner et al. [Phys. Rev. Lett. 118, 046401 (2017)], which includes the complete cubic valence band structure of the solid, can explain the appearance of GUE statistics if the magnetic field is not oriented in one of the symmetry planes of the cubic lattice. However, it cannot explain the experimental observation of GUE statistics for all orientations of the field. In this paper we investigate the effect of quasi-particle interactions or especially the exciton-phonon interaction on the level statistics of magnetoexcitons and show that the motional Stark field induced by the exciton-phonon interaction leads to the occurrence of GUE statistics for arbitrary orientations of the magnetic field in agreement with experimental observations. Importantly, the breaking of all antiunitary symmetries can be explained only by considering both the exciton-phonon interaction and the cubic crystal lattice.

cond-mat.mes-hall