Zobrazeno 1 - 10
of 98
pro vyhledávání: '"S.V. Syrotyuk"'
Autor:
Ya.M. Chornodolskyy, V.O. Karnaushenko, S.O. Ihnatsevych, A.S. Voloshinovskii, S.V. Syrotyuk, P.I. Vankevych, P.A. Bolkot, A.Y. Derevjanchuk
Publikováno v:
Фізика і хімія твердого тіла, Vol 25, Iss 2, Pp 250-254 (2024)
The band energy structures of CeF2Cl and CeFCl2 crystals have been calculated using the projector augmented-wave (PAW) method and the hybrid exchange-correlation functional PBE0. The valence band top consists of 2p states of F and 3p states of Cl. An
Externí odkaz:
https://doaj.org/article/a38feffd228044ffb54194355a190b46
Publikováno v:
Фізика і хімія твердого тіла, Vol 25, Iss 1, Pp 65-72 (2024)
The spin-polarized electronic energy spectra of the ZnSeS solid solution were obtained based on calculations for the supercell, which contains 64 atoms. At the first stage, the properties of the material based on the Mn:ZnSeS supercell, in which Mn r
Externí odkaz:
https://doaj.org/article/784a20a586314529a938ba5c741b15f6
Autor:
O.P. Malyk, S.V. Syrotyuk
Publikováno v:
Фізика і хімія твердого тіла, Vol 23, Iss 1, Pp 89-95 (2022)
In the present paper the way to describe the energy spectrum, the wave function and self- consistent potential in a semiconductor with a sphalerite structure at a predetermined temperature is proposed. Using this approach within the framework of the
Externí odkaz:
https://doaj.org/article/576f1f0459b647eb815142af597ff49f
Autor:
S.V. Syrotyuk, Moaid K. Hussain
Publikováno v:
Фізика і хімія твердого тіла, Vol 22, Iss 3, Pp 529-534 (2021)
The spin-polarized electronic energy spectra of the ZnCrSe crystal were obtained based on calculations for a supercell containing 64 atoms. First, calculation is performed with an impurity of Cr atom, replacing the Zn atom. In the second variant, the
Externí odkaz:
https://doaj.org/article/71324c06d39441a78ac501e2c1b340a9
Autor:
S.V. Syrotyuk
Publikováno v:
Фізика і хімія твердого тіла, Vol 21, Iss 4, Pp 695-699 (2020)
The electronic properties of InI and TlI crystals of an orthorhombic structure with a space group Cmcm are studied. Calculations of electron properties are performed on the basis of the projector augmented waves by means of the ABINIT program. Total
Externí odkaz:
https://doaj.org/article/3bcaa052a6984f8da1d8f0b9ba15c93b
Autor:
S.V. Syrotyuk
Publikováno v:
Acta Physica Polonica A. 141:333-337
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e0bc9d6ce5a0d784e889d0783f9e55c
https://doi.org/10.12693/aphyspola.141.333
https://doi.org/10.12693/aphyspola.141.333
Autor:
S.V. Syrotyuk, Yu.V. Klysko
Publikováno v:
Condensed Matter Physics, Vol 23, Iss 3, p 33703 (2020)
Ab initio investigation of the two porous coordination polymers Cu[Cu(pdt)_2] and Cu[Ni(pdt)_2] has been performed. The dispersion laws and partial density of states was obtained with the PBE0 hybrid functional. The results found here show that the m
Externí odkaz:
https://doaj.org/article/55e826b012704c619bb84e1e688e66da
Autor:
Yu.V. Klysko, S.V. Syrotyuk
Publikováno v:
Condensed Matter Physics, Vol 22, Iss 1, p 14701 (2019)
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 are supposed to be used in organic electronic devices. The list of mater
Externí odkaz:
https://doaj.org/article/4f57a9c3cc514c1991aa94252715e511
Autor:
A. S. Voloshinovskii, V. Tsiumra, Ya. Zhydachevskyy, Andrzej Suchocki, V. V. Vistovskyy, T. Malyi, A. V. Zhyshkovych, S.V. Syrotyuk, Ya. M. Chornodolskyy
Publikováno v:
Optical Materials. 89:480-487
Spectral luminescence parameters of pure and Bi-doped YVO4 microcrystals with different bismuth content (from 0.1 to 20 wt%) are studied in the 4.2–500 K temperature range. The broad photoluminescence band peaked at 570 nm is caused by localized ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::deb66e5afefd1cf79ba6b4d848004bad
https://doi.org/10.1016/j.optmat.2019.01.071
https://doi.org/10.1016/j.optmat.2019.01.071
Publikováno v:
Condensed Matter Physics, Vol 19, Iss 4, p 43703 (2016)
The electronic energy band spectra, as well as partial and total density of electronic states of the crystal argyrodite Ag_8SnSe_6 have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The one-electron e
Externí odkaz:
https://doaj.org/article/8cbc6de39ddb450e89ceea593ad4f4ea