arXiv subjects

Markus Kantner

Publications and source records attributed to Markus Kantner.

13 recordsLinked to original sources

arXiv2026

Exact Multi-Valley Envelope Function Theory of Valley Splitting in Si/SiGe Nanostructures

Valley splitting in strained Si/SiGe quantum wells is a central parameter for silicon spin qubits and is commonly described with envelope-function and effective-mass theories. These models provide a computationally efficient continuum description and have been shown to agree well with atomistic approaches when the confinement potential is slowly varying on the lattice scale. In modern Si/SiGe heterostructures with atomically sharp interfaces and engineered Ge concentration profiles, however, the slowly varying potential approximation underlying conventional (local) envelope-function theory is challenged. We formulate an exact multi-valley envelope-function model by combining Burt-Foreman-type envelope-function theory, which does not rely on the assumption of a slowly varying potential, with a valley-sector decomposition of the Brillouin zone. This construction enforces band-limited envelopes, which satisfy a set of coupled integro-differential equations with a non-local potential energy operator. Using degenerate perturbation theory, we derive the intervalley coupling matrix element within this non-local model and prove that it is strictly invariant under global shifts of the confinement potential (choice of reference energy). We then show that the conventional local envelope model generically violates this invariance due to spectral leakage between valley sectors, leading to an unphysical energy-reference dependence of the intervalley coupling. The resulting ambiguity is quantified by numerical simulations of various engineered Si/SiGe heterostructures. Finally, we propose a simple spectrally filtered local approximation that restores the energy-reference invariance exactly and provides a good approximation to the exact non-local theory.

cond-mat.mes-hall↗

arXiv2025

Optimization of Si/SiGe Heterostructures for Large and Robust Valley Splitting in Silicon Qubits

Small and device-dependent valley splittings remain a key challenge for electron spin qubits in silicon (Si), directly limiting qubit fidelity, device uniformity, and the scalability of Si-based quantum processors. In silicon-germanium (SiGe) heterostructures, this problem can be addressed through engineering of the epitaxial layer stack. Several heuristic strategies have been proposed to enhance the energy gap between the two nearly degenerate valley states in strained Si/SiGe quantum wells (QWs), e.g., sharp Si/SiGe interfaces, Ge spikes, or oscillating Ge concentrations within the QW. Here, we develop a systematic variational optimization approach to compute optimal Ge concentration profiles that enhance selected properties of the intervalley coupling matrix element. Our free-shape optimization framework is augmented by realistic technological constraints to ensure feasibility of the resulting epitaxial profiles and is based on an effective-mass envelope-function theory accounting for strain and compositional alloy disorder. Previously proposed heterostructure designs are recovered as special cases of the constrained optimization problem. Our main result is a novel heterostructure design, which we refer to as the "modulated wiggle well", providing both a large deterministic enhancement of the valley splitting and a strong suppression of disorder-induced variability. In addition, this design enables wide electrical tunability of the valley splitting - from approximately $200\,\mu \text{eV}$ to above $1\,\text{meV}$ - offering new opportunities for engineering robust and switchable silicon qubits.

cond-mat.mes-hall↗

arXiv2025

Numerical simulation of coherent spin-shuttling in a QuBus with charged defects

Recent advances in coherent conveyor-mode spin qubit shuttling are paving the way for large-scale quantum computing platforms with qubit connectivity achieved by spin qubit shuttles. We developed a simulation tool to investigate numerically the impact of device imperfections on the spin-coherence of conveyor-mode shuttling in Si/SiGe. We simulate the quantum evolution of a mobile electron spin-qubit under the influence of sparse and singly charged point defects placed in the Si/SiGe heterostructure in close proximity to the shuttle lane. We consider different locations of a single charge defect with respect to the center of the shuttle lane, multiple orbital states of the electron in the shuttle with $g$-factor differences between the orbital levels, and orbital relaxation induced by electron-phonon interaction. With this simulation framework, we identify the critical defect density of charged point defects in the heterostructure for conveyor-mode spin qubit shuttle devices and quantify the impact of a single defect on the coherence of a qubit.

cond-mat.mes-hall↗

arXiv2024

Theory of Valley Splitting in Si/SiGe Spin-Qubits: Interplay of Strain, Resonances and Random Alloy Disorder

Electron spin-qubits in silicon-germanium (SiGe) heterostructures are a major candidate for the realization of scalable quantum computers. A critical challenge in strained Si/SiGe quantum wells (QWs) is the existence of two nearly degenerate valley states at the conduction band minimum that can lead to leakage of quantum information. To address this issue, various strategies have been explored to enhance the valley splitting (i.e., the energy gap between the two low-energy conduction band minima), such as sharp interfaces, oscillating germanium concentrations in the QW (known as wiggle wells) and shear strain engineering. In this work, we develop a comprehensive envelope-function theory augmented by an empirical nonlocal pseudopotential model to incorporate the effects of alloy disorder, strain, and non-trivial resonances arising from interactions between valley states across neighboring Brillouin zones. We apply our model to analyze common epitaxial profiles studied in the literature with a focus on wiggle well type structures and compare our results with previous work. Our framework provides an efficient tool for quantifying the interplay of these effects on the valley splitting, enabling complex epitaxial profile optimization in future work.

cond-mat.mes-hall↗

arXiv2023

Bayesian Estimation of Laser Linewidth from Delayed Self-Heterodyne Measurements

We present a statistical inference approach to estimate the frequency noise characteristics of ultra-narrow linewidth lasers from delayed self-heterodyne beat note measurements using Bayesian inference. Particular emphasis is on estimation of the intrinsic (Lorentzian) laser linewidth. The approach is based on a statistical model of the measurement process, taking into account the effects of the interferometer as well as the detector noise. Our method therefore yields accurate results even when the intrinsic linewidth plateau is obscured by detector noise. The regression is performed on periodogram data in the frequency domain using a Markov-chain Monte Carlo method. By using explicit knowledge about the statistical distribution of the observed data, the method yields good results already from a single time series and does not rely on averaging over many realizations, since the information in the available data is evaluated very thoroughly. The approach is demonstrated for simulated time series data from a stochastic laser rate equation model with 1/f-type non-Markovian noise.

physics.optics↗

arXiv2023

Accurate evaluation of self-heterodyne laser linewidth measurements using Wiener filters

Self-heterodyne beat note measurements are widely used for the experimental characterization of the frequency noise power spectral density (FN-PSD) and the spectral linewidth of lasers. The measured data, however, must be corrected for the transfer function of the experimental setup in a post-processing routine. The standard approach disregards the detector noise and thereby induces reconstruction artifacts, i.e., spurious spikes, in the reconstructed FN-PSD. We introduce an improved post-processing routine based on a parametric Wiener filter that is free from reconstruction artifacts, provided a good estimate of the signal-to-noise ratio is supplied. Building on this potentially exact reconstruction, we develop a new method for intrinsic laser linewidth estimation that is aimed at deliberate suppression of unphysical reconstruction artifacts. Our method yields excellent results even in the presence of strong detector noise, where the intrinsic linewidth plateau is not even visible using the standard method. The approach is demonstrated for simulated time series from a stochastic laser model including 1/f-type noise.

physics.optics↗

arXiv2021

Semiconductor Laser Linewidth Theory Revisited

More and more applications require semiconductor lasers distinguished not only by large modulation bandwidths or high output powers, but also by small spectral linewidths. The theoretical understanding of the root causes limiting the linewidth is therefore of great practical relevance. In this paper, we derive a general expression for the calculation of the spectral linewidth step by step in a self-contained manner. We build on the linewidth theory developed in the 1980s and 1990s but look from a modern perspective, in the sense that we choose as our starting points the time-dependent coupled-wave equations for the forward and backward propagating fields and an expansion of the fields in terms of the stationary longitudinal modes of the open cavity. As a result, we obtain rather general expressions for the longitudinal excess factor of spontaneous emission ($K$-factor) and the effective $\alpha$-factor including the effects of nonlinear gain (gain compression) and refractive index (Kerr effect), gain dispersion and longitudinal spatial hole burning in multi-section cavity structures. The effect of linewidth narrowing due to feedback from an external cavity often described by the so-called chirp reduction factor is also automatically included. We propose a new analytical formula for the dependence of the spontaneous emission on the carrier density avoiding the use of the population inversion factor. The presented theoretical framework is applied to a numerical study of a two-section distributed Bragg reflector laser.

physics.optics↗

arXiv2020

Beyond just "flattening the curve": Optimal control of epidemics with purely non-pharmaceutical interventions

When effective medical treatment and vaccination are not available, non-pharmaceutical interventions such as social distancing, home quarantine and far-reaching shutdown of public life are the only available strategies to prevent the spread of epidemics. Based on an extended SEIR (susceptible-exposed-infectious-recovered) model and continuous-time optimal control theory, we compute the optimal non-pharmaceutical intervention strategy for the case that a vaccine is never found and complete containment (eradication of the epidemic) is impossible. In this case, the optimal control must meet competing requirements: First, the minimization of disease-related deaths, and, second, the establishment of a sufficient degree of natural immunity at the end of the measures, in order to exclude a second wave. Moreover, the socio-economic costs of the intervention shall be kept at a minimum. The numerically computed optimal control strategy is a single-intervention scenario that goes beyond heuristically motivated interventions and simple "flattening of the curve." Careful analysis of the computed control strategy reveals, however, that the obtained solution is in fact a tightrope walk close to the stability boundary of the system, where socio-economic costs and the risk of a new outbreak must be constantly balanced against one another. The model system is calibrated to reproduce the initial exponential growth phase of the COVID-19 pandemic in Germany.

q-bio.PE↗

arXiv2020

Non-isothermal Scharfetter-Gummel scheme for electro-thermal transport simulation in degenerate semiconductors

Electro-thermal transport phenomena in semiconductors are described by the non-isothermal drift-diffusion system. The equations take a remarkably simple form when assuming the Kelvin formula for the thermopower. We present a novel, non-isothermal generalization of the Scharfetter-Gummel finite volume discretization for degenerate semiconductors obeying Fermi-Dirac statistics, which preserves numerous structural properties of the continuous model on the discrete level. The approach is demonstrated by 2D simulations of a heterojunction bipolar transistor.

physics.comp-ph↗

arXiv2020

Consistency and convergence for a family of finite volume discretizations of the Fokker--Planck operator

We introduce a family of various finite volume discretization schemes for the Fokker--Planck operator, which are characterized by different weight functions on the edges. This family particularly includes the well-established Scharfetter--Gummel discretization as well as the recently developed square-root approximation (SQRA) scheme. We motivate this family of discretizations both from the numerical and the modeling point of view and provide a uniform consistency and error analysis. Our main results state that the convergence order primarily depends on the quality of the mesh and in second place on the quality of the weights. We show by numerical experiments that for small gradients the choice of the optimal representative of the discretization family is highly non-trivial while for large gradients the Scharfetter--Gummel scheme stands out compared to the others.

math.NA↗

arXiv2019

Generalized Scharfetter-Gummel schemes for electro-thermal transport in degenerate semiconductors using the Kelvin formula for the Seebeck coefficient

Many challenges faced in today's semiconductor devices are related to self-heating phenomena. The optimization of device designs can be assisted by numerical simulations using the non-isothermal drift-diffusion system, where the magnitude of the thermoelectric cross effects is controlled by the Seebeck coefficient. We show that the model equations take a remarkably simple form when assuming the so-called Kelvin formula for the Seebeck coefficient. The corresponding heat generation rate involves exactly the three classically known self-heating effects, namely Joule, recombination and Thomson-Peltier heating, without any further (transient) contributions. Moreover, the thermal driving force in the electrical current density expressions can be entirely absorbed in the diffusion coefficient via a generalized Einstein relation. The efficient numerical simulation relies on an accurate and robust discretization technique for the fluxes (finite volume Scharfetter-Gummel method), which allows to cope with the typically stiff solutions of the semiconductor device equations. We derive two non-isothermal generalizations of the Scharfetter-Gummel scheme for degenerate semiconductors (Fermi-Dirac statistics) obeying the Kelvin formula. The approaches differ in the treatment of degeneration effects: The first is based on an approximation of the discrete generalized Einstein relation implying a specifically modified thermal voltage, whereas the second scheme follows the conventionally used approach employing a modified electric field. We present a detailed analysis and comparison of both schemes, indicating a superior performance of the modified thermal voltage scheme.

physics.app-ph↗

arXiv2017

Hybrid quantum-classical modeling of quantum dot devices

The design of electrically driven quantum dot devices for quantum optical applications asks for modeling approaches combining classical device physics with quantum mechanics. We connect the well-established fields of semi-classical semiconductor transport theory and the theory of open quantum systems to meet this requirement. By coupling the van Roosbroeck system with a quantum master equation in Lindblad form, we introduce a new hybrid quantum-classical modeling approach, which provides a comprehensive description of quantum dot devices on multiple scales: It enables the calculation of quantum optical figures of merit and the spatially resolved simulation of the current flow in realistic semiconductor device geometries in a unified way. We construct the interface between both theories in such a way, that the resulting hybrid system obeys the fundamental axioms of (non-)equilibrium thermodynamics. We show that our approach guarantees the conservation of charge, consistency with the thermodynamic equilibrium and the second law of thermodynamics. The feasibility of the approach is demonstrated by numerical simulations of an electrically driven single-photon source based on a single quantum dot in the stationary and transient operation regime.

cond-mat.mes-hall↗

arXiv2014

Delay-induced patterns in a two-dimensional lattice of coupled oscillators

We show how a variety of stable spatio-temporal periodic patterns can be created in 2D-lattices of coupled oscillators with non-homogeneous coupling delays. A "hybrid dispersion relation" is introduced, which allows studying the stability of time-periodic patterns analytically in the limit of large delay. The results are illustrated using the FitzHugh-Nagumo coupled neurons as well as coupled limit cycle (Stuart-Landau) oscillators.

math.DS↗