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We perform a theoretical and numerical study of the optical properties of both direct and inverse three-dimensional (3D) chiral woodpile structures, and a corresponding chiral Bragg stack. We compute transmission spectra in the helical…
We investigate the electronic properties of the semi-Dirac system and its polaronic dynamics when coupled with a fermi bath with quadratic dispersion. The electronic anisotropic transport properties and the semiclassical dynamics of the…
The structural, elastic, and electronic properties of the very recently discovered ternary silicide superconductor, Li2IrSi3, have been calculated using ab-initio technique. We have carried out the plane-wave pseudopotential approach within…
We discuss the calculation of the refractive index by means of the ab initio scalar dielectric function and point out its inherent limitations. To overcome these, we start from the recently proposed fundamental, microscopic wave equation in…
A theoretical study of the newly identified Ti5Al2C3 belonging to the MAX phases has been performed by using the first-principles pseudopotential plane-wave method within the generalized gradient approximation (GGA). The energy band…
Organic semiconductors show complex phenomena due to their high energetic disorder. A striking example is the possibility of an increased effective temperature T_eff of the charge carrier distribution relative to the lattice temperature,…
We have experimentally studied polarization properties of the two-dimensional coupled photonic crystal microcavity arrays, and observed a strong polarization dependence of the transmission and reflection of light from the structures - the…
We discuss a few situations related to non separable correlations in multiterminal hybrid structures. We show that the existence of such correlations can modify the strength of the gap of the superconductor. We discuss linear combinations…
We study the optical properties of metamaterials made from cut-wire pairs or plate pairs. We obtain a more pronounced optical response for arrays of plate pairs -- a geometry which also eliminates the undesired polarization anisotropy of…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
It is shown that the Weyl semimetal TaAs can have a significant polar vector contribution to its optical activity. This is quantified by ab initio calculations of the resonant x-ray diffraction at the Ta L1 edge. For the Bragg vector (400),…
We discuss properties of strongly correlated two-dimensional electron gas in semiconductor layers at low electron concentrations assuming that the electron liquid is close to crystalization. Analogy with the theory of 3He is emphasized.
Chalcohalides are an emerging family of semiconductors with irresistible material properties, shaped by the intricate interplay between their unique structural chemistry and vibrational dynamics. Despite their promise for next-generation…
Determining the electronic and dielectric properties of water at high pressure and temperature is an essential prerequisite to understand the physical and chemical properties of aqueous environments under supercritical conditions, e.g. in…
We analyze the transparency of a thin film of low refractive index (an optical glue or a bonding layer) placed between higher-index media and forming an opto-pair. Examples include a semiconductor light-emitting diode with attached lens or…
We report the computational investigation of a series of ternary X$_4$Y$_2$Z and X$_5$Y$_2$Z$_2$ compounds with X={Mg, Ca, Sr, Ba}, Y={P, As, Sb, Bi}, and Z={S, Se, Te}. The compositions for these materials were predicted through a search…
Near-zero-refractive index materials display unique optical properties such as perfect transmission through distorted waveguides, cloaking, and inhibited diffraction. Compared to conventional media, they can fundamentally behave differently…
The exponential computational cost of describing strongly correlated electrons can be mitigated by adopting a reduced density-matrix (RDM)-based description of the electronic structure. While variational two-electron RDM (v2RDM) methods can…
Diluted magnetic semiconductors (DMS) are interesting because of the interplay between the electronic and magnetic subsystems. We describe selected magnetic properties of IV-VI diluted magnetic semiconductors, looking at the similarities…
The influence of solubilizing substitutional groups on the electronic and optical properties of functionalized pentacene molecules and crystals have been investigated. Density functional theory is used to calculate the electronic and…