Related papers: Linear Scaling Approach for Optical Excitations Us…
A novel finite-element method for calculating the illumination-dependence of absorption in three-dimensional nanostructures is presented based on the RF module of the COMSOL software package. This method is capable of numerically…
Engineering non-linear hybrid light-matter states in tailored optical lattices is a central research strategy for the simulation of complex Hamiltonians. Excitons in atomically thin crystals are an ideal active medium for such purposes,…
We present a first-principles scheme for incorporating many-body interactions into the unified description of the quadratic optical response to light of noncentrosymmetric crystals. The proposed method is based on time-dependent…
Spectral splitters, as well as solar concentrators, are commonly designed and optimized using numerical methods. Here, we present an experimental method to spectrally split and concentrate broadband light (420 nm - 875 nm) via wavefront…
As the size of quantum devices continues to grow, the development of scalable methods to characterise and diagnose noise is becoming an increasingly important problem. Recent methods have shown how to efficiently estimate Hamiltonians in…
The linear optical absorption spectra of three isomers of planar boron cluster B$_{13}$ are calculated using time-dependent spin-polarized density functional approach. The geometries of these cluster are optimized at the B3LYP/6-311+G*…
We derive ab initio local Hubbard models for several optical lattice potentials of current interest, including the honeycomb and Kagom\'{e} lattices, verifying their accuracy on each occasion by comparing the interpolated band structures…
We develop the resonant mode coupling approximation to calculate the optical spectra of a stack of two photonic crystal slabs. The method is based on a derivation of the input and output resonant vectors in each slab in terms of the Fourier…
To fully explore exciton-based applications and improve their performance, it is essential to understand the exciton behavior in anisotropic materials. Here, we investigate the optical properties of anisotropic excitons in GeS encapsulated…
Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe-Salpeter equation (BSE) for electron-hole pairs…
Wannier-Mott excitons in a semiconductor layered superlattice (SL) of period much smaller than the 2D exciton Bohr radius in the presence of a longitudinal external dc electric field directed parallel to the SL axis are investigated…
Here we demonstrate workably accurate estimation of optical excitation threshold for large systems comprising of hundreds of atoms through an anti-causally corrected(ACC) real-time dynamics(RTD) approach implemented in a minimal…
We propose a scheme for calculation of optical functions of a semiconductor with Rydberg excitons, for a wide interval of dimensions. We start with 2-dimensional structure, then going to thin films and ending on 3-dimensional bulk crystals.…
We examine whether essence and quantitative aspects of electronic excitation spectra are correctly captured by an effective low-energy model constructed from an {\em ab initio} downfolding scheme. A global electronic structure is first…
The Bethe-Salpeter equation (BSE) can provide an accurate description of low-energy optical spectra of insulating crystals - even when excitonic effects are important. However, due to high computational costs it is only possible to include…
We present an algorithm for the adaptive tetrahedral integration over the Brillouin zone of crystalline materials, and apply it to compute the optical conductivity, dc conductivity, and thermopower. For these quantities, whose contributions…
The Bethe-Salpeter formalism represents the most accurate method available nowadays for computing neutral excitation energies and optical spectra of crystalline systems from first principles. Bethe-Salpeter calculations yield very good…
Position scaling-eigenfunctions are generated by transforming compactly supported orthonormal scaling functions and utilized for faster alternatives to maximally localized Wannier functions (MLWFs). The position scaling-eigenfunctions are…
A theoretical description of local absorption is proposed in order to investigate spectral variations on a length scale comparable with the extension of the relevant quantum states. A general formulation is derived within the density-matrix…
Wannier function expansions are well suited for the description of photonic- crystal-based defect structures, but constructing maximally localized Wannier functions by optimizing the phase degree of freedom of the Bloch modes is crucial for…