Xanes spectroscopic study of the electronic structure of Ti in KTiOPO4 and some of its isomorphous compounds

Research output: Contribution to journalArticleResearchpeer review

Authors

  • B. Pillep
  • M. Fröba
  • M. L.F. Phillips
  • J. Wong
  • G. D. Stucky
  • P. Behrens

External Research Organisations

  • Ludwig-Maximilians-Universität München (LMU)
  • Lawrence Livermore National Laboratory
  • Universität Hamburg
  • University of California at Santa Barbara
  • Sandia National Laboratories NM
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Details

Original languageEnglish
Pages (from-to)203-207
Number of pages5
JournalSolid state communications
Volume103
Issue number3
Publication statusPublished - Jul 1997
Externally publishedYes

Abstract

Ti K-edge XANES spectra of KTiOPO4, an important material for second harmonic generation (SHG) and several of its isomorphs including MTiOPO4 (M = Na, Ag) and KTi1-xSnxOPO4 (x = 0.1, 0.4, 0.5, 0.6) have been recorded. The pre-edge regions of these spectra exhibit characteristic features that are assigned to electronic transitions from the Ti 1s to the unoccupied Ti 3d and 4p levels. The intensities of these pre-edge features are very sensitive to slight changes in the asymmetry of the octahedral Ti coordination sphere. Thus, in the series KTi1-xSnxOPO4 the successive substitution of Ti by Sn causes a substantial decrease of the Ti coordination asymmetry. This decrease is correlated with a loss in SHG intensity.

Keywords

    C. XANES, D. optical properties, E. synchrotron radiation, E. X-ray spectroscopies

ASJC Scopus subject areas

Cite this

Xanes spectroscopic study of the electronic structure of Ti in KTiOPO4 and some of its isomorphous compounds. / Pillep, B.; Fröba, M.; Phillips, M. L.F. et al.
In: Solid state communications, Vol. 103, No. 3, 07.1997, p. 203-207.

Research output: Contribution to journalArticleResearchpeer review

Pillep B, Fröba M, Phillips MLF, Wong J, Stucky GD, Behrens P. Xanes spectroscopic study of the electronic structure of Ti in KTiOPO4 and some of its isomorphous compounds. Solid state communications. 1997 Jul;103(3):203-207. doi: 10.1016/S0038-1098(97)00173-7
Pillep, B. ; Fröba, M. ; Phillips, M. L.F. et al. / Xanes spectroscopic study of the electronic structure of Ti in KTiOPO4 and some of its isomorphous compounds. In: Solid state communications. 1997 ; Vol. 103, No. 3. pp. 203-207.
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abstract = "Ti K-edge XANES spectra of KTiOPO4, an important material for second harmonic generation (SHG) and several of its isomorphs including MTiOPO4 (M = Na, Ag) and KTi1-xSnxOPO4 (x = 0.1, 0.4, 0.5, 0.6) have been recorded. The pre-edge regions of these spectra exhibit characteristic features that are assigned to electronic transitions from the Ti 1s to the unoccupied Ti 3d and 4p levels. The intensities of these pre-edge features are very sensitive to slight changes in the asymmetry of the octahedral Ti coordination sphere. Thus, in the series KTi1-xSnxOPO4 the successive substitution of Ti by Sn causes a substantial decrease of the Ti coordination asymmetry. This decrease is correlated with a loss in SHG intensity.",
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T1 - Xanes spectroscopic study of the electronic structure of Ti in KTiOPO4 and some of its isomorphous compounds

AU - Pillep, B.

AU - Fröba, M.

AU - Phillips, M. L.F.

AU - Wong, J.

AU - Stucky, G. D.

AU - Behrens, P.

N1 - Funding information: This work was supported by the Fonds der Chemischen Industrie (Munich) and the U.S. National Science Foundation (Santa Barbara). The synchrotron experiments were carried out at SSRL supportedb y U.S. Departmento f Energy, Division of Chemical Sciences. M.F. is grateful to the Alexander von Humboldt Foundation, Germany, for a Feodor Lynen Research Fellowship. B.P. thanks the Freistaat Bayem for a PhD scholarship.

PY - 1997/7

Y1 - 1997/7

N2 - Ti K-edge XANES spectra of KTiOPO4, an important material for second harmonic generation (SHG) and several of its isomorphs including MTiOPO4 (M = Na, Ag) and KTi1-xSnxOPO4 (x = 0.1, 0.4, 0.5, 0.6) have been recorded. The pre-edge regions of these spectra exhibit characteristic features that are assigned to electronic transitions from the Ti 1s to the unoccupied Ti 3d and 4p levels. The intensities of these pre-edge features are very sensitive to slight changes in the asymmetry of the octahedral Ti coordination sphere. Thus, in the series KTi1-xSnxOPO4 the successive substitution of Ti by Sn causes a substantial decrease of the Ti coordination asymmetry. This decrease is correlated with a loss in SHG intensity.

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