Electronic structure of zaykovite Rh3Se4, prediction, and analysis of physical properties of related materials: Pd3Se4, Ir3Se4, and Pt3Se4.

In this work, we explore the electronic properties and chemical bonding in the recently discovered mineral zaykovite, the first natural rhodium selenide Rh3Se4. We comprehensively studied the bulk electronic structure, hybridization of rhodium and selenium orbitals, and the influence of spin-orbit interaction on the electronic spectrum, as well as inspected its topological properties. In addition, we investigated the surface electronic structure of zaykovite and revealed the anisotropic Rashba-type spin splitting in the surface states.

Lead overlayer dynamics on Ni(111).

Ultrathin lead films on metallic and semiconductor substrates are technologically demanded and actively studied by different experimental and theoretical methods. The formation of these films gives rise to new adsorbate-induced electron states and vibrational modes. The dynamical properties of atoms on surfaces depend sensitively on their bonding environment and thus provide valuable insight into the local geometry and chemical bonding at the boundary of a solid.

Unveiling Influence of Dielectric Losses on the Localized Surface Plasmon Resonance in (Al,Ga)As:Sb Metamaterials.

We perform numerical modeling of the optical absorption spectra of metamaterials composed of systems of semimetal antimony nanoparticles embedded into AlxGa1-xAs semiconductor matrices. We reveal a localized surface plasmon resonance (LSPR) in these metamaterials, which results in a strong optical extinction band below, near, or above the direct band gap of the semiconductor matrices, depending on the chemical composition of the solid solutions. We elucidate the role of dielectric losses in AlxGa1-xAs, which impact the LSPR and cause non-plasmonic optical absorption.

Plasmon Resonance in a System of Bi Nanoparticles Embedded into (Al,Ga)As Matrix.

We reveal the feasibility of the localized surface plasmon resonance in a system of Bi nanoparticles embedded into an AlxGa1-xAs semiconductor matrix. With an ab initio determined dielectric function for bismuth and well-known dielectric properties of AlxGa1-xAs solid solution, we performed calculations of the optical extinction spectra for such metamaterial using Mie's theory. The calculations demonstrate a strong band of the optical extinction using the localized surface plasmons near a photon energy of 2.