arXiv subjects

G. A. H. Schober

Publications and source records attributed to G. A. H. Schober.

17 recordsLinked to original sources

arXiv2023

Triplet superconductivity in the Rashba$^4$ model

The Rashba$^4$ model is a lattice model of interacting fermions with a tight-binding dispersion relation that exhibits four Rashba band crossing points at the same energy. The fermions interact weakly, by an on-site repulsion and an additional nearest-neighbour two-body interaction, which may be attractive or repulsive. We study this model when the Fermi energy is at or close to the band crossings, by a combination of renormalization group flow equations and mean-field theory. We find that the scattering processes between different Rashba points drive superconductivity of an unusual triplet type not found in models with a single Rashba point.

cond-mat.str-el↗

arXiv2020

Response Theory of the Electron-Phonon Coupling

This article presents a systematic theoretical enquiry concerning the conceptual foundations and the nature of phonon-mediated electron-electron interactions. Starting from the fundamental many-body Hamiltonian, we propose a simple scheme to decouple the electrons and nuclei of a crystalline solid via effective interactions. These effective interactions, which we express in terms of linear response functions, are completely symmetric under the exchange of electrons and nuclei. Correspondingly, we derive concrete formulae for both the effective electron interaction mediated by phonons and the effective core interaction mediated by electrons. In particular, we rederive from our fundamental ansatz the well-known general expressions of the effective electron-electron interaction in terms of the elastic Green function and the phonon dispersion relation. We further show that the effective core interaction coincides in the instantaneous limit with the dynamical matrix as calculated in electronic structure theory. If combined with the Kubo formalism, our general formulae lend themselves to the calculation of effective interactions from first principles. By showing the compatibility of our approach with the functional integral formalism, this work also paves the way for the derivation of ab initio initial interactions for functional renormalization group applications.

cond-mat.mtrl-sci↗

arXiv2020

Ab initio materials physics and microscopic electrodynamics of media

We argue that the amazing progress of first-principles materials physics necessitates a revision of the Standard Approach to electrodynamics of media. We hence subject this Standard Approach to a thorough critique, which shows both its inherent conceptual problems and its practical inapplicability to modern ab initio calculations. We then go on to show that the common practice in ab initio materials physics has overcome these difficulties by taking a different, microscopic approach to electrodynamics of media, only superficially resembling the Standard Approach whose validity is restricted to the macroscopic domain. As this paradigm shift went largely unnoticed outside and partly even within the ab initio community, the present article aims at a systematic development and paradigmatic discussion of this new, microscopic first-principles approach to electrodynamics of media, for which we propose the name "Functional Approach".

cond-mat.mtrl-sci↗

arXiv2019

General form of the full electromagnetic Green function in materials physics

In this article, we present the general form of the full electromagnetic Green function which is suitable for the application in bulk materials physics. In particular, we show how the seven adjustable parameter functions of the free Green function translate into seven corresponding parameter functions of the full Green function. Furthermore, for both the fundamental response tensor and the electromagnetic Green function, we discuss the reduction of the Dyson equation on the four-dimensional Minkowski space to an equivalent, three-dimensional Cartesian Dyson equation.

physics.class-ph↗

arXiv2018

Truncated-Unity Parquet Equations: Application to the Repulsive Hubbard Model

The parquet equations are a self-consistent set of equations for the effective two-particle vertex of an interacting many-fermion system. The application of these equations to bulk models is, however, demanding due to the complex emergent momentum and frequency structure of the vertex. Here, we show how a channel-decomposition by means of truncated unities, which was developed in the context of the functional renormalization group to efficiently treat the momentum dependence, can be transferred to the parquet equations. This leads to a significantly reduced numerical effort scaling only linearly with the number of discrete momenta. We apply this technique to the half-filled repulsive Hubbard model on the square lattice and present approximate solutions for the channel-projected vertices and the full reducible vertex.

cond-mat.str-el↗

arXiv2018

Truncated unity functional renormalization group for multiband systems with spin-orbit coupling

Although the functional renormalization group (fRG) is by now a well-established method for investigating correlated electron systems, it is still undergoing significant technical and conceptual improvements. In particular, the motivation to optimally exploit the parallelism of modern computing platforms has recently led to the development of the "truncated-unity" functional renormalization group (TU-fRG). Here, we review this fRG variant, and we provide its extension to multiband systems with spin-orbit coupling. Furthermore, we discuss some aspects of the implementation and outline opportunities and challenges ahead for predicting the ground-state ordering and emergent energy scales for a wide class of quantum materials.

cond-mat.str-el↗

arXiv2018

Microscopic theory of refractive index applied to metamaterials: Effective current response tensor corresponding to standard relation $n^2 = \varepsilon_{\mathrm{eff}} μ_{\mathrm{eff}}$

In this article, we first derive the wavevector- and frequency-dependent, microscopic current response tensor which corresponds to the "macroscopic" ansatz $\vec D = \varepsilon_0 \varepsilon_{\mathrm{eff}} \vec E$ and $\vec B = μ_0 μ_{\mathrm{eff}} \vec H$ with wavevector- and frequency-independent, "effective" material constants $\varepsilon_{\mathrm{eff}}$ and $μ_{\mathrm{eff}}$. We then deduce the electromagnetic and optical properties of this effective material model by employing exact, microscopic response relations. In particular, we argue that for recovering the standard relation $n^2 = \varepsilon_{\mathrm{eff}} μ_{\mathrm{eff}}$ between the refractive index and the effective material constants, it is imperative to start from the microscopic wave equation in terms of the transverse dielectric function, $\varepsilon_{\mathrm{T}}(\vec k, ω) = 0$. On the phenomenological side, our result is especially relevant for metamaterials research, which draws directly on the standard relation for the refractive index in terms of effective material constants. Since for a wide class of materials the current response tensor can be calculated from first principles and compared to the model expression derived here, this work also paves the way for a systematic search for new metamaterials.

physics.class-ph↗

arXiv2017

Why history matters: ab initio rederivation of Fresnel equations confirms microscopic theory of refractive index

We provide a systematic theoretical, experimental, and historical critique of the standard derivation of Fresnel's equations, which shows in particular that these well-established equations actually contradict the traditional, macroscopic approach to electrodynamics in media. Subsequently, we give a rederivation of Fresnel's equations which is exclusively based on the microscopic Maxwell equations and hence in accordance with modern first-principles materials physics. In particular, as a main outcome of this analysis being of a more general interest, we propose the most general boundary conditions on electric and magnetic fields which are valid on the microscopic level.

physics.optics↗

arXiv2017

Functional Approach to Electrodynamics of Media

In this article, we put forward a new approach to electrodynamics of materials. Based on the identification of induced electromagnetic fields as the microscopic counterparts of polarization and magnetization, we systematically employ the mutual functional dependencies of induced, external and total field quantities. This allows for a unified, relativistic description of the electromagnetic response without assuming the material to be composed of electric or magnetic dipoles. Using this approach, we derive universal (material-independent) relations between electromagnetic response functions such as the dielectric tensor, the magnetic susceptibility and the microscopic conductivity tensor. Our formulae can be reduced to well-known identities in special cases, but more generally include the effects of inhomogeneity, anisotropy, magnetoelectric coupling and relativistic retardation. If combined with the Kubo formalism, they would also lend themselves to the ab initio calculation of all linear electromagnetic response functions.

cond-mat.mtrl-sci↗

arXiv2017

Covariant Response Theory and the Boost Transform of the Dielectric Tensor

After a short critique of the Minkowski formulae for the electromagnetic constitutive laws in moving media, we argue that in actual fact the problem of Lorentz-covariant electromagnetic response theory is automatically solved within the framework of modern microscopic electrodynamics of materials. As an illustration, we first rederive the well-known relativistic transformation behavior of the microscopic conductivity tensor. Thereafter, we deduce from first principles the transformation law of the wavevector- and frequency-dependent dielectric tensor under Lorentz boost transformations.

physics.class-ph↗

arXiv2017

Linear electromagnetic wave equations in materials

After a short review of microscopic electrodynamics in materials, we investigate the relation of the microscopic dielectric tensor to the current response tensor and to the full electromagnetic Green function. Subsequently, we give a systematic overview of microscopic electromagnetic wave equations in materials, which can be formulated in terms of the microscopic dielectric tensor.

cond-mat.mtrl-sci↗

arXiv2017

Microscopic Theory of the Refractive Index

We examine the refractive index from the viewpoint of modern first-principles materials physics. We first argue that the standard formula, $n^2 = \varepsilon_{\mathrm r} μ_{\mathrm r}$, is generally in conflict with fundamental principles on the microscopic level. Instead, it turns out that an allegedly approximate relation, $n^2 = \varepsilon_{\mathrm r}$, which is already being used for most practical purposes, can be justified theoretically at optical wavelengths. More generally, starting from the fundamental, Lorentz-covariant electromagnetic wave equation in materials as used in plasma physics, we rederive a well-known, three-dimensional form of the wave equation in materials and thereby clarify the connection between the covariant fundamental response tensor and the various cartesian tensors used to describe optical properties. Finally, we prove a general theorem by which the fundamental, covariant wave equation can be reformulated concisely in terms of the microscopic dielectric tensor.

cond-mat.mtrl-sci↗

arXiv2016

Relativistic covariance of Ohm's law

The derivation of Lorentz-covariant generalizations of Ohm's law has been a long-term issue in theoretical physics with deep implications for the study of relativistic effects in optical and atomic physics. In this article, we propose an alternative route to this problem, which is motivated by the tremendous progress in first-principles materials physics in general and ab initio electronic structure theory in particular. We start from the most general, Lorentz-covariant first-order response law, which is written in terms of the fundamental response tensor $χ^μ_ν$ relating induced four-currents to external four-potentials. By showing the equivalence of this description to Ohm's law, we prove the validity of Ohm's law in every inertial frame. We further use the universal relation between $χ^μ_ν$ and the microscopic conductivity tensor $σ_{k\ell}$ to derive a fully relativistic transformation law for the latter, which includes all effects of anisotropy and relativistic retardation. In the special case of a constant, scalar conductivity, this transformation law can be used to rederive a standard textbook generalization of Ohm's law.

math-ph↗

arXiv2016

Functional renormalization and mean-field approach to multiband systems with spin-orbit coupling: Application to the Rashba model with attractive interaction

The functional renormalization group (RG) in combination with Fermi surface patching is a well-established method for studying Fermi liquid instabilities of correlated electron systems. In this article, we further develop this method and combine it with mean-field theory to approach multiband systems with spin-orbit coupling, and we apply this to a tight-binding Rashba model with an attractive, local interaction. The spin dependence of the interaction vertex is fully implemented in a RG flow without SU(2) symmetry, and its momentum dependence is approximated in a refined projection scheme. In particular, we discuss the necessity of including in the RG flow contributions from both bands of the model, even if they are not intersected by the Fermi level. As the leading instability of the Rashba model, we find a superconducting phase with a singlet-type interaction between electrons with opposite momenta. While the gap function has a singlet spin structure, the order parameter indicates an unconventional superconducting phase, with the ratio between singlet and triplet amplitudes being plus or minus one on the Fermi lines of the upper or lower band, respectively. We expect our combined functional RG and mean-field approach to be useful for an unbiased theoretical description of the low-temperature properties of spin-based materials.

cond-mat.str-el↗

arXiv2016

Tight-binding Rashba model and statistical field theory

This document contains information supplementary to the article [1], but it is self-contained and can be read independently as a pedagogical review. In the first part, we explain our conventions for the tight-binding description of electronic states on the hexagonal Bravais lattice in two dimensions. We derive the Rashba spin splitting from elementary symmetry conditions, and subsequently construct a minimal tight-binding model which displays Rashba spin splitting near the center of the Brillouin zone. Furthermore, we derive the corresponding symmetry conditions for a two-particle interaction in a second-quantized framework. In the second part, we describe our conventions for the temperature Green functions, in terms of which the renormalization group equations in [1] have been formulated. We also provide a brief summary of the most important definitions and properties of temperature Green functions. [1] G. A. H. Schober, K.-U. Giering, M. M. Scherer, C. Honerkamp, and M. Salmhofer, arXiv:1409.7087.

cond-mat.str-el↗

arXiv2012

Mechanisms of enhanced orbital dia- and paramagnetism: Application to the Rashba semiconductor BiTeI

We study the magnetic susceptibility of a layered semiconductor BiTeI with giant Rashba spin splitting both theoretically and experimentally to explore its orbital magnetism. Apart from the core contributions, a large temperature-dependent diamagnetic susceptibility is observed when the Fermi energy E_F is near the crossing point of the conduction bands, while the susceptibility turns to be paramagnetic when E_F is away from it. These features are consistent with first-principles calculations, which also predict an enhanced orbital magnetic susceptibility with both positive and negative signs as a function of E_F due to band (anti)crossings. Based on these observations, we propose two mechanisms for an enhanced paramagnetic orbital susceptibility.

cond-mat.mtrl-sci↗

arXiv2012

Giant magneto-optical response in non-magnetic semiconductor BiTeI driven by bulk Rashba spin splitting

We study the magneto-optical (MO) response of polar semiconductor BiTeI with giant bulk Rashba spin splitting at various carrier densities. Despite being non-magnetic, the material is found to yield a huge MO activity in the infrared region under moderate magnetic fields (<3 T). By comparison with first-principles calculations, we show that such an enhanced MO response is mainly due to the intraband transitions between the Rashba-split bulk conduction bands in BiTeI, which give rise to distinct novel features and systematic doping dependence of the MO spectra. We further predict an even more pronounced enhancement in the low-energy MO response and dc Hall effect near the crossing (Dirac) point of the conduction bands.

cond-mat.str-el↗