Related papers: First-principles calculation of x-ray dichroic spe…
We present a method to measure the vector-field light scattering of individual microscopic objects. The polarization-dependent optical field images are measured with quantitative phase imaging at the sample plane, and then numerically…
We provide a theoretical foundation for the statistical approach for computing the absorption properties of particles in the Rayleigh domain. We present a general method based on the Discrete Dipole Approximation (DDA) to compute the…
The emission of electromagnetic waves from a source within or near a non-trivial medium (with or without boundaries, crystalline or amorphous, with inhomogeneities, absorption and so on) is sometimes studied using the reciprocity principle.…
We investigate the modification in the optical properties of laser-excited bulk cobalt and nickel using the time-dependent density functional theory at a finite electron temperature. As a result of the first-principles simulation, a complex…
We employ the first-principles GW+Bethe Salpeter equation approach to study the electronic structure and optical absorption spectra of uniaxial strained graphene with many-electron effects included. Applied strain not only induces an…
Bulk Rashba systems BiTeX (X = I, Br, Cl) are emerging as important candidates for developing spintronics devices, because of the coexistence of spin-split bulk and surface states, along with the ambipolar character of the surface charge…
We studied the optical absorption induced by 4.7eV pulsed laser radiation on Ge-doped a-SiO2 synthesized by a sol-gel technique. The absorption spectra in the ultraviolet spectral range were measured during and after the end of irradiation…
We develop a simple tensorial contraction method to obtain analytical formula for X-ray resonant magnetic scattering. We apply the method considering first electric dipole-dipole and electric quadrupole-quadrupole scattering in the isolated…
A systematic ab-initio study within the framework of the local-spin-density approximation including spin-orbit coupling and an orbital-polarization term is performed for the spin and orbital moments and for the X-ray magnetic circular…
Magnetic linear dichroism and birefringence in (Ga,Mn)As epitaxial layers is investigated by measuring the polarization plane rotation of reflected linearly polarized light when magnetization lies in the plane of the sample. We report on…
We present the first analytic-derivative-based formulation of vibrational circular dichroism (VCD) atomic axial tensors for second-order Moller-Plesset (MP2) perturbation theory. We compare our implementation to our recently reported…
We present a method to compute the photoionization spectra of atoms and molecules in linear response time-dependent density functional theory. The electronic orbital variations corresponding to ionized electrons are expanded on a basis set…
Let $$L_0=\suml_{j=1}^nM_j^0D_j+M_0^0,\,\,\,\,D_j=\frac{1}{i}\frac{\pa}{\paxj}, \quad x\in\Rn,$$ be a constant coefficient first-order partial differential system, where the matrices $M_j^0$ are Hermitian. It is assumed that the homogeneous…
Simple analytical formulae, directly relating the experimental geometry and sample orientation to the measured R(M)XS scattered intensity are very useful to design experiments and analyse data. Such formulae can be obtained by the…
Dichroic signals derived from the Borrmann effect and a twisted photon beam with topological charge l = 1 are formulated with an effective wavevector. The unification applies for non-magnetic and magnetic materials. Electronic degrees of…
When light hits a multilayer planar stack, it is reflected, refracted, and absorbed in a way that can be derived from the Fresnel equations. The analysis is treated in many textbooks, and implemented in many software programs, but certain…
We develop an exact formalism for performing first-principles calculations for insulators at fixed electric polarization. As shown by Sai, Rabe, and Vanderbilt (SRV) [N. Sai, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B {\bf 66}, 104108…
In a previous paper, we reviewed theoretically some of the available processing schemes for X-ray wavefront sensing based on random modulation. We here show experimental applications of the technique for characterising both refractive and…
Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonrad code that implements the first-principles approach of…
We have calculated the relativistic reflection component of the X-ray spectra of accretion disks in active galactic nuclei (AGN). Our calculations have shown that the spectra can be significantly modified by the motion of the accretion flow…