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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},
}