Structural studies on amorphous silicon boron nitride Si3B3N7: neutron contrast technique on nitrogen and high energy X-ray diffraction

(Note: The full text of this document is currently only available in the PDF Version )

Ralf M. Hagenmayer, Utz Müller, Chris J. Benmore, Jörg Neuefeind and Martin Jansen


The structure of the new ternary amorphous nitride Si3B3N7, synthesised from the single source precursor TADB [(trichlorosilyl)aminodichloroborane], has been investigated by means of X-ray diffraction using high energy synchrotron radiation and by neutron diffraction using the isotopic contrast technique on nitrogen. The X-ray results have been compared with results from electron diffraction experiments, confirming the trigonal planar coordination of boron (RBN = 1.4 Å, ZBN = 2.8, ZNB = 1.2) by nitrogen and the tetrahedral coordination of silicon (RSiN = 1.7 Å, ZSiN = 3.8, ZNSi = 1.6) by nitrogen. The neutron contrast technique was applied in order to obtain detailed information about the nitrogen environment. From the total pair correlation functions the N–N distances within the boron and silicon coordination polyhedra could be extracted [RNN(B) = 2.5 Å, RNN(Si) = 2.8 Å]. In addition, the difference function shows two distinct maxima at ca. 3.8 and 4.3 Å in the third coordination sphere resulting from Si–N or B–N pairs connected via three bonds. If at least two of these are B–N bonds a contribution to the first peak results, while the second maximum is matched if at least two Si–N bonds are involved.


References

  1. M. Jansen, Solid State Ionics, 1997, 101–103, 1 CAS.
  2. H. P. Baldus and M. Jansen, Angew. Chem., 1997, 109, 338; Angew. Chem., Int. Ed. Engl., 1997, 36, 255 Search PubMed.
  3. H. P. Baldus, O. Wagner and M. Jansen, Mater. Res. Soc. Symp. Proc., 1992, 271, 821 CAS.
  4. U. Müller, W. Hoffbauer and M. Jansen, Chem. Mater., submitted Search PubMed.
  5. P. Lamparter and S. Steeb, in Material Science and Technology, VCH, Weinheim, 1993, vol. 1, p. 217 Search PubMed.
  6. C. J. Benmore and P. S. Salmon, Phys. Rev. Lett., 1994, 73, 264 CrossRef CAS.
  7. V. F. Sears, Thermal-Neutron Scattering Lengths and Cross Sections for Condensed-Matter Research, Atomic Energy of Canada Limited, Chalk River, Ontario, Canada, 1984, AECL Report No. 8490 Search PubMed.
  8. H. F. Poulsen, J. Neuefeind, H.-B. Neumann, J. R. Schneider and M. D. Zeidler, J. Non-Cryst. Solids, 1995, 188, 63 CrossRef CAS.
  9. J. Neuefeind, K. Tödheide, A. Lemke and H. Bertagnolli, J. Non-Cryst. Solids, 1998, 224, 205 CrossRef CAS.
  10. R. Bouchard, D. Hupfeld, T. Lippmann, J. Neuefeind, H.-B. Neumann, H. F. Poulsen, U. Rütt, T. Schmidt, J. R. Schneider, J. Süβenbach and M. v. Zimmermann, J. Synchrotron Radiat., 1998, 5, 90 CrossRef CAS.
  11. H.-B. Neumann, J. R. Schneider, J. Süssenbach, S. R. Stock and Z. U. Rek, Nucl. Instrum. Methods A, 1996, 372, 551 CrossRef CAS.
  12. S. Keitel, C. C. Retsch, T. Niemöller, J. R. Schneider, N. V. Abrasimov, S. N. Rossolenko and H. Riemann, Nucl. Instrum. Methods A, 1998, 414, 427 CrossRef CAS.
  13. A. K. Soper, W. S. Howells and A. C. Hannon, Analysis of Time-of-flight Diffraction Data from Liquid and Amorphous Samples ATLAS 1.0, ISIS Facility, RAL, Chilton, Didcot, 1997 Search PubMed.
  14. T. E. Faber and J. M. Ziman, Philos. Mag., 1965, 11, 153 Search PubMed.
  15. International Tables for Crystallography, ed. A. J. C. Wilson, Kluwer Academic, Dordrecht, 1992 Search PubMed.
  16. D. Heinemann, W. Assenmacher, W. Mader, M. Kroschel and M. Jansen, J. Mater. Res., submitted Search PubMed.
  17. A. K. Soper, G. W. Neilson, J. E. Enderby and R. A. Howe, J. Phys. C, 1977, 10, 1793 CrossRef CAS.
  18. P. H. Gaskell, in Proc. ILL/ESRF Workshop on Methods in the Determination of Partial Structure Factors, Grenoble 1992, ed. J. B. Suck, P. Chieux, D. Raoux and C. Riekel, World Scientific, Singapore, 1993, p. 34 Search PubMed.
  19. I. Kohatsu and J. W. McCauley, Mater. Res. Bull., 1974, 9, 917 CAS.
  20. R. S. Pease, Acta Crystallogr., Sect. A, 1952, 5, 356 CrossRef CAS.
  21. M. Mühlhaeuser, M. Gastreich, C. M. Marian, H. Jüngermann and M. Jansen, J. Phys. Chem., 1996, 100, 16 551 CrossRef.