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@PHDTHESIS{Robert:398602,
      author       = {Robert, Hauko},
      othercontributors = {Padeznik, Gomilsek Jana},
      title        = {{X}-ray absorption in hydrides of the 3p and 4p elements},
      school       = {University of Maribor},
      type         = {Dissertation},
      address      = {Maribor, Slovenia},
      publisher    = {Faculty of natural sciences and mathematics, University of
                      Maribor},
      reportid     = {PUBDB-2017-14161},
      series       = {Doctoral disertation},
      pages        = {80},
      year         = {2017},
      note         = {Dissertation, University of Maribor, 2017},
      abstract     = {Photoabsorption spectra of gaseous hydrides of 3p elements
                      (PH$_3$, H$_2$S, HCl) are measured in the energy region of
                      photoexcitations pertaining to K edge. The analysis is
                      extended to hydrides of 4p series (GeH$_4$, AsH$_3$,
                      H$_2$Se, HBr) from an earlier experiment, and to noble gases
                      Ar and Kr as well as the published spectrum of SiH$_4$,
                      inaccessible to our measurement. Edge profiles and sharp
                      features immediately above the edges reflect single- and
                      multi-electron transitions into molecular and modified
                      atomic orbitals. In the pre-edge analysis, the published
                      data on the homologous 2p series (CH$_4$, NH$_3$, H$_2$O and
                      HF) with Ne in the XUV region are included in the
                      comparison. The edge profiles are modelled with a linear
                      combination of lorentzian components, describing excitations
                      to individual bound states and to continuum. Transition
                      energies and probabilities are also calculated in the
                      non-relativistic molecular model of the ORCA code, in good
                      agreement with the experiment. Edge profiles in the heavier
                      homologues are closely similar, the symmetry of the molecule
                      governs the transitions to the lowest unoccupied orbitals.
                      In 2p series the effect of the strong nuclear potential
                      prevails. Transitions to higher, atomic-like levels remain
                      very much the same as in free atoms. For analysis of valence
                      coexcitations in the post-edge region the deconvolution
                      procedure is used to compensate the increased natural widths
                      of spectral structures in the 4p group. The similarity of
                      the shape of the sharp structures in analog pairs of spectra
                      proves that the coupling mechanism of the outer electronic
                      configurations is mostly the same. We have shown that
                      high-energy part of coexcitation spectra in hydrides can be
                      modelled satisfactorly with a linear combination of
                      multiplied Ar or Kr coexcitation spectra. The total
                      cross-section for a single-electron ionization and
                      transition of the second electron to the bound state shows a
                      slightly decrease with an increasing charge of the central
                      atom in both series, the transition of valence electron to
                      the quasi-atomic orbitals dominate. The latter is in
                      contrast with the results of multi-electron excitations
                      higher up above the edge with prevailing transitions to
                      molecular orbitals. Our findings are confirmed by some
                      recent results in emission spectroscopy. The analysis and
                      good agreement of parameters obtained in a two-steps
                      calculation with measured values indicate that a valence
                      co-excitation in gaseus hydrides of 3p and 4p elements can
                      be described in the sudden approximation: the excitation of
                      core electron is followed by the molecule relaxation with
                      shake-up and shake-off transition of the outer electron.},
      cin          = {DOOR},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (POF3-622)},
      pid          = {G:(DE-HGF)POF3-6G3},
      experiment   = {EXP:(DE-H253)D-X1-20150101 / EXP:(DE-H253)P-P03-20150101 /
                      EXP:(DE-H253)P-P04-20150101},
      typ          = {PUB:(DE-HGF)3 / PUB:(DE-HGF)11},
      doi          = {10.3204/PUBDB-2017-14161},
      url          = {https://bib-pubdb1.desy.de/record/398602},
}