相关论文: Dipole matrix element approach vs. Peierls approxi…

Chiral multifold fermions are quasiparticles described by higher spin generalizations of the Weyl equation, and are realized as low energy excitations near symmetry protected band crossings in certain chiral crystals. In this work we…

Stark shifts of potassium and rubidium D1 lines have been measured with high precision by Miller et al [1]. In this work, we combine these measurements with our all-order calculations to determine the values of the electric-dipole matrix…

This work presents a highly optimized computational framework for the Discrete Dipole Approximation, a numerical method for calculating the optical properties associated with a target of arbitrary geometry that is widely used in…

X-ray resonant scattering at the K-edge of transition metal oxides is shown to measure the orbital order parameter, supposed to accompany magnetic ordering in some cases. Virtual transitions to the 3d-orbitals are quadrupolar in general. In…

Diffractive optical elements (DOEs) are widely applied as compact solutions for desired light manipulations via wavefront shaping. Recent advanced chip applications further require their feature sizes to move down to the subwavelength,…

Two-wavelength adaptive optics (AO) systems sense turbulence-induced wavefront distortions using an artificial beacon or natural guidestar at one wavelength, while correcting and possibly transmitting at another. Although most existing AO…

Recently the structural transition in Na2Ti3Cl8 at 200 K with the formation of triangular Ti3 clusters was studied by ab-initio calculations in PRL 124, 167203 (2020). It was concluded on the basis of the DFT+U results that the usual band…

We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…

Integration operational matrix methods based on Zernike polynomials are used to determine approximate solutions of a class of non-homogeneous partial differential equations (PDEs) of first and second order. Due to the nature of the Zernike…

We use path integrals to calculate perturbative corrections to the correlation function of a particle under the action of nonlinear optical tweezers, both in the overdamped and underdamped regimes. In both cases, it is found that to leading…

At optical frequencies, interactions of the electric field component of light with matter are dominating, whereas magnetic dipole transitions are inherently weak and challenging to access independently from electric dipole transitions.…

We theoretically describe the optical computation of the divergence of a two-dimensional vector field, which is composed by the transverse electric field components of an incident light beam. The divergence is computed in reflection at…

Short pitch deformed helix ferroelectric liquid crystals have numerous applications as active materials in displays, optical telemetry and biomedical devices. In this paper, we derive convenient analytical formulas to calculate the…

We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical background for the derivation of the dielectric tensor within…

Using $t_{2g}$ Wannier-functions, a low-energy Hamiltonian is derived for orthorhombic $3d^{1}$ transition-metal oxides. Electronic correlations are treated with a new implementation of dynamical mean-field theory for non-cubic systems.…

We present a new measurement principle to determine the absolute time delay of a waveform from an optical reference plane to an electrical reference plane and vice versa. We demonstrate a method based on this principle with 2 ps…

A new approach is introduced for calculating the spectral shifts of the most bathochromic pi -> pi* transition of an aromatic chromophore in apolar environments. As an example, perylene in solid and liquid n-alkane matrices was chosen, and…

An extended formula for orbital susceptibility including corrections of the Peierls phase is introduced. By using the new developed formula, the orbital susceptibility of benzene is estimated analytically on the basis of the $\pi$ electron…

Density functional plus dynamical mean field calculations are used to show that in transition metal oxides, rotational and tilting (GdFeO$_3$-type) distortions of the ideal cubic perovskite structure produce a multiplicity of low-energy…

X-ray absorption and its dependence on the polarization of light is a powerful tool to investigate the orbital and spin moments of magnetic materials and their orientation relative to crystalline axes. Here, we present a program for the…