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Your search keyword '"A.F. Katanytsia"' showing total 2 results
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2 results on '"A.F. Katanytsia"'

1. Model research of phonon spectra of argyrodites family

Author

I.I. Nebola, A.Ya. Shteyfan, V.I. Sidey, A.F. Katanytsia, I.P. Studenyak, and I.M. Shkyrta

Subjects
argyrodites, crystal structure, protocrystal, phonon spectrum, Maple environment, Physics, QC1-999
Abstract

Cu6PS5Br compound belongs to the large family of complex chalcohalides crystallizing in the argyrodite structures. The main peculiarity of the copper-containing argyrodites is high ionic conductivity of Cu+ ions, which makes it possible to use as the functional electronic materials. In the present study, the crystal structure of Cu6PS5Br argyrodite have been analyzed and described using the superspace symmetry concept. The program operating under the Maple environment and suitable for theoretically calculating the phonon spectra of the Cu6PS5Br argyrodite crystal has been developed. Zone structures have been calculated and presented for a series of model Сu6PS5Br phases. The eigenvalues of the generalized dynamic matrix have been found as well as the dispersion dependences have been built for the directions –X–M–R––M of the Brillouin zone.

Published
2018
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2. Model phonon spectra of Cu7SiS5I and Ag7SiS5I crystals

Author

A.Ya. Shteyfan, Milan Timko, I.I. Nebola, Peter Kopčanský, I.M. Shkyrta, Ihor Studenyak, and A.F. Katanytsia

Subjects
010302 applied physics, Materials science, Condensed matter physics, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Atomic and Molecular Physics, and Optics, Phonon spectra, Electronic, Optical and Magnetic Materials, Condensed Matter::Materials Science, Condensed Matter::Superconductivity, 0103 physical sciences, Electrical and Electronic Engineering, 0210 nano-technology
Abstract

In the concept of superspatial symmetry the crystal structure of Cu7SiS5I and Ag7SiS5I superionic conductors has been analyzed. To calculate the phonon spectra, the model of FCC superlattice (8а, 8а, 0; 8а, 0, 8а; 0, 8а, 8а) in the metric of protocrystal (а, а, 0; а, 0, а; 0, а, а) has been developed. For the developed model, the general (3+3)-dimensional basis, the array of modulation vectors and mass modulation functions have been presented. The model calculations of phonon spectra dispersion for Cu7SiS5I and Ag7SiS5I crystals in schemes with various partial occupation of crystallographic orbits by Cu(Ag) atoms have been performed. The dispersion dependences of phonon spectra for Cu7SiS5I and Ag7SiS5I crystals in the high-symmetric directions of Brillouin zone have been presented. The genesis of phonon branches of vibrational spectra has been analyzed.

Published
2020
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