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@ARTICLE{Rudysh:637445,
author = {Rudysh, M. Ya. and Brezvin, R. S. and Khyzhun, O. Yu. and
Piasecki, М. and Melnykova, N. M. and Stadnyk, V. Yo. and
Shchepanskyi, P. А. and Kotlov, A. and Voloshinovskii, А.
S.},
title = {{C}haracterization of electronic structure and luminescence
spectra of the {K}$_2${SO}$_4$ crystal},
journal = {Applied physics / A},
volume = {131},
number = {8},
issn = {0340-3793},
address = {New York},
publisher = {Springer},
reportid = {PUBDB-2025-03853},
pages = {604},
year = {2025},
note = {Waiting for fulltext},
abstract = {β-potassium sulfate single crystal was grown by slow
evaporation method from an aqueous solution, and its crystal
structure was examined using the X-ray diffraction study.
Band-energy structure calculations were carried out using
the state-of-the-art local density approximation (LDA),
generalized gradient approximation (GGA) with
Perdew-Burke-Ernzerhof parametrization for solids (PBEsol),
revised strongly constrained and appropriately normed
(RSCAN), and Becke, 3-parameter, Lee-Yang-Parr (B3LYP)
functionals within the framework of density functional
theory. It was determined that the RSCAN functional is best
suited for geometric optimization. The energy levels were
identified, and the band gap value was estimated at 7 eV.
The electronic level structure was investigated using X-ray
photoelectron and X-ray emission spectroscopy.It is shown
the excellent agreement between the experimental and
theoretical results, that confirms applicability of chosen
theoretical approach. The binding energies of electrons in
the crystal were measured, and excitation and luminescence
spectra at T = 80 K were studied using synchrotron
radiation.},
cin = {DOOR ; HAS-User / FS-PET-S},
ddc = {530},
cid = {I:(DE-H253)HAS-User-20120731 /
I:(DE-H253)FS-PET-S-20190712},
pnm = {632 - Materials – Quantum, Complex and Functional
Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
FS-Proposal: I-20240836 EC (I-20240836-EC)},
pid = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
G:(DE-H253)I-20240836-EC},
experiment = {EXP:(DE-H253)P-P66-20150101},
typ = {PUB:(DE-HGF)16},
doi = {10.1007/s00339-025-08735-0},
url = {https://bib-pubdb1.desy.de/record/637445},
}