10 citations · 27 across the 6 of their papers we have counts for
6 papers
Hybrid functional analysis of porous coordination polymers Cu[Cu(pdt)] and Cu[Ni(pdt)]
S. V. Syrotyuk, Yu. V. Klysko
Ab initio investigation of the two porous coordination polymers Cu[Cu(pdt)] and Cu[Ni(pdt)] has been performed. The dispersion laws and partial density of states wa…
Excited state properties of polycyclic hydrocarbons based dyes
Yu. V. Klysko, S. V. Syrotyuk
In this paper we present a comprehensive ab initio study of polycyclic hydrocarbons based dyes. The purpose of the work is to obtain electronic properties of the materials which ar…
The effects of strong correlations on the band structure of AgSnSe argyrodite
S. V. Syrotyuk, I. V. Semkiv, H. A. Ilchuk +1
The electronic energy band spectra, as well as partial and total density of electronic states of the crystal argyrodite AgSnSe have been evaluated within the projector…
Ab Initio Calculation of stressed Cesium Iodide lattices and resulting Surface Plasmon Resonance Peak shifts
Kuldeep Kumar, P. Arun, S. V. Syrotyuk
Alkali halides like Cesium Iodide have received renewed attention as a material with potential application as detector coating due to the appearance of Surface Plasmon Resonance ab…
Quasiparticle electronic band structure of the alkali metal chalcogenides
S. V. Syrotyuk, V. M. Shved
The electronic energy band spectra of the alkali metal chalcogenides MA (M: Li, Na, K, Rb; A: O, S, Se, Te) have been evaluated within the projector augmented waves (PAW) appro…
Electronic properties of AlN crystal doped with Cr, Mn and Fe
S. V. Syrotyuk, V. M. Shved
The spin-resolved electronic energy band spectra, as well as partial and total density of electronic states of the crystal AlN, doped with Cr, Mn and Fe, have been evaluated within…