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RISS 인기검색어
- 검색키워드
- 저자 : Brezvin R.S. (검색결과 2 건)
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Structure, refractive and electronic properties of K2SO4:Cu2+ (3%) crystals
Matviiv R.B.,Rudysh M. Ya.,Stadnyk V. Yo.,Fedorchuk A.O,Shchepanskyi P.A.,Brezvin R.S.,Khyzhun O.Y. 한국물리학회 2021 Current Applied Physics Vol.21 No.-
K2SO4:Cu2+ (3%) crystal has been synthesized and its crystal structure is characterized by means of the X-ray diffraction method and discussed within the second coordination environment description. Experimental dispersions of the refractive indices and birefringence have been studied. The introduction of impurity leads to a decrease in refractive indices values for all principal directions and significantly change the absolute birefringence values, without altering the character of the dispersions. Electronic structure and optical spectra of K2SO4: Cu2+ (3%) crystal are calculated using the density functional theory. To verify data of the present band-structure calculations, X-ray photoelectron spectroscopy and X-ray emission spectroscopy were used. These allowed to measure binding energy values of the core-level electrons of the constituting atoms, energy distribution of electronic states within the valence-band region and partial distribution of O 2p states. The experimental data is found to be in good agreement with theoretical band-structure calculations.
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Structure, electronic, optical and elastic properties of (NH4)2BeF4 crystal in paraelectric phase
Rudysh M. Ya.,Fedorchuk A.O,Stadnyk V. Yo.,Shchepanskyi P.A.,Brezvin R.S.,Horon B.I.,Khyzhun O.Yu.,Gorina O.M. 한국물리학회 2023 Current Applied Physics Vol.45 No.-
The theoretical study of the structure and specific properties of the (NH4)2BeF4 crystal is carried out within the framework of the DFT. The band-energy structure of the (NH4)2BeF4 crystal in paraelectric phase is calculated and discussed. The edge of the fundamental absorption of the crystal is assumed to be associated with direct transitions in the center of Brillouin zone. The real and imaginary parts of the dielectric function as well as spectral dependence of the principal refractive indices of the crystal are calculated. Experimental study of the refractive indices dispersions of the grown crystal is carried out; the calculated dependances reveal good agreement with experimental data. Theoretical elastic coefficients Сij are calculated. The anisotropy of optical and elastic properties, which is important for possible applications, has been highlighted by means of the 2D and 3D graphs. The presented results should be very useful for future anisotropy-based implementations of the crystal.
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