Related papers: Efficient Band Structure Unfolding with Atom-cente…
We apply a Bloch-bands approach to the analysis of pulsed optical standing wave diffractive elements in optics and interferometry with ultracold atoms. We verify our method by comparison to a series of experiments with Bose-Einstein…
Above-threshold ionization (ATI) results from strong field laser-matter interaction and it is one of the fundamental processes that may be used to extract electron structural and dynamical information about the atomic or molecular target.…
We perform a first principles band calculation for a group of quasi-two-dimensional organic conductors \beta-(BDA-TTP)2MF6 (M=P, As, Sb, Ta). The ab-initio calculation shows that the density of states (DOS) is correlated with the band width…
We develop a numerical approach based on the sinc basis set for first-principles electronic structure calculations in one-dimensional systems. The method exploits the inherent accuracy and non-local character of the sinc functions to handle…
Understanding and predicting the properties of solid-state materials from first-principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve…
A flatband material is a system characterized by energy bands with zero dispersion, allowing for the compact localization of wavefunctions in real space. This compact localization significantly enhances inter-particle correlations and…
Matrix inversion problems are often encountered in experimental physics, and in particular in high-energy particle physics, under the name of unfolding. The true spectrum of a physical quantity is deformed by the presence of a detector,…
Tomographic imaging reveals internal structures of 3D objects and is crucial for medical diagnoses. Visualizing the morphology and appearance of non-planar sparse anatomical structures that extend over multiple 2D slices in tomographic…
This paper introduces a novel method for the efficient and accurate computation of volume fractions on unstructured polyhedral meshes, where the phase boundary is an orientable hypersurface, implicitly given as the iso-contour of a…
Nonlinear superlattices exhibit unique features allowing for wave manipulations. Despite the increasing attention received, the underlying physical mechanisms and the evolution process of the band structures and bandgaps in strongly…
The choice of unfolding method for a cross-section measurement is tightly coupled to the model dependence of the efficiency correction and the overall impact of cross-section modeling uncertainties in the analysis. A key issue is the…
The fundamental building blocks in band theory are band representations (BRs): bands whose infinitely-numbered Wannier functions are generated (by action of a space group) from a finite number of symmetric Wannier functions centered on a…
The electronic orbital characteristics at the band edges plays an important role in determining the electrical, optical and defect properties of perovskite photovoltaic materials. It is highly desirable to establish the relationship between…
Even though organic conductors have complicated crystalline structure with low symmetry and large unit cell, band structure calculations predict multiband quasi-two dimensional electronic structure yielding very simple Fermi surface in most…
Rescattering electrons offer great potential as probes of molecular properties on ultrafast timescales. The most famous example is molecular tomography, in which high harmonic spectra of oriented molecules are mapped to ``tomographic…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
Photoemission orbital tomography (POT) is a powerful tool for investigating the orbitals and electronic band structure of oriented layers of organic molecules. In many cases, POT allows conclusions to be drawn regarding the geometric…
Obtaining accurate band structures of correlated solids has been one of the most important and challenging problems in first-principles electronic structure calculation. There have been promising recent active developments of wave function…
We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell…
Spectroscopic tools are fundamental for the understanding of complex quantum systems. Here we demonstrate high-precision multi-band spectroscopy in a graphene-like lattice using ultracold fermionic atoms. From the measured band structure,…