Related papers: A general group theoretical method to unfold band …

An efficient method for calculating the electronic structure of systems that need a very fine sampling of the Brillouin zone is presented. The method is based on the variational optimization of a "single" (i.e. common to all points in the…

We consider the high energy physics unfolding problem where the goal is to estimate the spectrum of elementary particles given observations distorted by the limited resolution of a particle detector. This important statistical inverse…

We formulate a low energy effective Hamiltonian to study superlattices in bilayer graphene (BLG) using a minimal model which supports quadratic band touching points. We show that a one dimensional (1D) periodic modulation of the chemical…

We introduce a notion of covolume for point sets in locally compact groups that simultaneously generalizes the covolume of a lattice and the reciprocal of the Beurling density for amenable, unimodular groups. This notion of covolume arises…

Recently, there has been an increasing interest in the study of hypercomplex signals and their Fourier transforms. This paper aims to study such integral transforms from general principles, using 4 different yet equivalent definitions of…

We develop a numerical Brillouin-zone integration scheme for real-time propagation of electronic systems with time-dependent density functional theory. This scheme is based on the decomposition of a large simulation into a set of small…

We present a novel construction of finite groupoids whose Cayley graphs have large girth even w.r.t. a discounted distance measure that contracts arbitrarily long sequences of edges from the same colour class (sub-groupoid), and only counts…

We classify insulators by generalized symmetries that combine space-time transformations with quasimomentum translations. Our group-cohomological classification generalizes the nonsymmorphic space groups, which extend point groups by…

In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger…

Bandedge states in the indirect-gap group-IV metal monochalcogenide monolayers ('four-six-enes' such as SnS, GeTe, etc.) inherit the properties of nearby reciprocal space points of high symmetry at the Brillouin zone edge. We employ group…

A method to analyze optical transitions is developed by combining the Kubo-Greenwood formula with the unfolding method to construct an unfolded electronic band structure with optical transition weights, which allows us to investigate how…

In spatially periodic Hermitian systems, such as electronic systems in crystals, the band structure is described by the band theory in terms of the Bloch wave functions, which reproduce energy levels for large systems with open boundaries.…

The topology of the electronic band structure of solids can be described by its Berry curvature distribution across the Brillouin zone. We theoretically introduce and experimentally demonstrate a general methodology based on the measurement…

This paper lays groundwork for the detailed study of the non-trivial renormalization group flow connecting supersymmetric fixed points in four dimensions using string theory on AdS spaces. Specifically, we consider D3-branes placed at…

The affine general linear group acting on a vector space over a prime field is a well-understood mathematical object. Its elementary abelian regular subgroups have recently drawn attention in applied mathematics thanks to their use in…

The moir\'e superlattice system provides an excellent platform for exploring various novel quantum phenomena. To theoretically tackle the diverse correlated and topological states emerging from moir\'e superlattices, one usually adopts an…

We address the problem of uncertainty propagation and Bayesian fusion on unimodular Lie groups. Starting from a stochastic differential equation (SDE) defined on Lie groups via Mckean-Gangolli injection, we first convert it to a parametric…

Noncentrosymmetric superconductors can support flat bands of zero-energy surface states in part of their surface Brillouin zone. This requires that they obey time-reversal symmetry and have a sufficiently strong triplet-to-singlet-pairing…

Predicting phenomena that mix few-photon quantum optics with strong field nonlinear optics is hindered by the use of separate theoretical formalisms for each regime. We close this gap with a unified effective field theory valid for…

Using ab-initio calculations we reveal the nature of the insulating phase recently found experimentally in monolayer 1T-NbSe$_2$. We find soft phonon modes in a large parts of the Brillouin zone indicating the strong-coupling nature of a…