- Physical Review Journals
All JournalsPhysics Magazine
Access Provided by Xinjiang University

Physical Review B

Export citation

Export citation

Choose format for download:

Download Citation
  • Access by Xinjiang University

Distribution of solute atoms in β- and spinel Si6−zAlzOzN8−z by Al K-edge x-ray absorption near-edge structure

Kazuyoshi Tatsumi1, Teruyasu Mizoguchi2, Satoru Yoshioka3, Tomoyuki Yamamoto4, Takeo Suga4, Toshimori Sekine5, and Isao Tanaka3

  • 1Department of Materials, Physics and Energy Engineering, Nagoya University, Chikusa, Nagoya 464-8603, Japan
  • 2Institute of Engineering Innovation, The University of Tokyo, Bunkyo, Tokyo 113-8656, Japan
  • 3Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto 606-8501, Japan
  • 4Fukui Institute for Fundamental Chemistry, Kyoto University, Sakyo, Kyoto 606-8103, Japan
  • 5Advanced Materials Laboratory, National Institute for Materials Science, Namiki, Tsukuba 305-0044, Japan

PDF

Phys. Rev. B 71, 033202 – Published 27 January, 2005

DOI: https://doi.org/10.1103/PhysRevB.71.033202

Abstract

Local environments of solutes in β- and spinel Si6−zAlzOzN8−z are investigated by means of Al K x-ray absorption near-edge structure. The experimental spectra are found to be the same throughout the wide solubility range. This suggests that the local environments of Al are independent of the solute concentration. First-principles band-structure calculations are systematically made to interpret the experimental spectra. Effect of a core hole was included into the calculation. Theoretical spectra were obtained using variety of different model structures constructed by a set of plane-wave pseudopotentials calculations in our previous study [K. Tatsumi, I. Tanaka, H. Adachi, and M. Yoshiya, Phys. Rev. B 66, 165210 (2002)]. The numbers of models were 51 and 45 for both β and spinel, respectively. They are classified and averaged according to the local atomic structure of Al solutes. The combination of experimental spectra and theoretical results can unambiguously lead to the conclusion that Al atoms are preferentially coordinated by O atoms in both β and spinel phases. This is consistent with the conclusion obtained by the first-principles total-energy calculations. In the spinel phase, Al atoms are found to be located preferentially at the octahedral cationic site. This agrees with the conclusion in a recent report on the nuclear magnetic resonance experiment.

View figure in article

Article Text

References (26)

  1. G. Petzow and M. Herrmann, Structure and Bonding 102, 47 (2002).
  2. I. V. Belyi, Silicon Nitride in Electronics (Elsevier, Amsterdam, 1988).
  3. K. H. Jack and W. I. Wilson, Nature (London), Phys. Sci. 238, 28 (1972).
  4. Y. Oyama and O. Kamigaito, Jpn. J. Appl. Phys. 10, 1637 (1971).
  5. T. Ekstrom, J. Am. Ceram. Soc. 75, 259 (1992).
  6. M. H. Lewis, in Silicon Nitride Ceramics, Materials Research Society Symposium Proceedings No. 287, edited by I. W. Chen, P. F. Becher, M. Mitomo, G. Petzow, and T. S. Yen (Materials Research Society, Pittsburgh, 1993), pp. 159–172.
  7. I. Tanaka et al., Acta Metall. Mater. 40, 1995 (1992).
  8. T. Sekine et al., Chem. Phys. Lett. 344, 395 (2001).
  9. M. Schwarz et al., Angew. Chem., Int. Ed. 41, 789 (2002).
  10. K. Tatsumi et al., Phys. Rev. B 66, 165210 (2002).
  11. N. D. Butler et al., J. Mater. Sci. Lett. 3, 469 (1984).
  12. R. Dupree et al., J. Mater. Sci. Lett. 4, 393 (1985).
  13. R. Dupree et al., J. Appl. Crystallogr. 21, 109 (1988).
  14. S. V. Okatov and A. L. Ivanovskii, Int. J. Inorg. Mater. 3, 923 (2001).
  15. C. M. Fang and R. Metselaar, J. Am. Ceram. Soc. 86, 1956 (2003).
  16. C. M. Fang and R. Metselaar, J. Mater. Chem. 13, 335 (2003).
  17. L. Ouyang and W. Y. Ching, Appl. Phys. Lett. 81, 8 (2002).
  18. Y. Takata and N. Kosugi, UVSOR Activity Report No. 1999 (2000), p. 112.
  19. W. Y. Ching, J. Am. Ceram. Soc. 73, 3135 (1990).
  20. S. D. Mo and W. Y. Ching, Phys. Rev. B 62, 7901 (2000).
  21. S. D. Mo and W. Y. Ching, Appl. Phys. Lett. 78, 3809 (2001).
  22. W. Y. Ching et al., J. Am. Ceram. Soc. 85, 11 (2002).
  23. I. Tanaka et al., Appl. Phys. Lett. 78, 2134 (2001).
  24. T. Mizoguchi et al., Phys. Rev. B 70, 045103 (2004).
  25. I. Tanaka et al., Nat. Mater. 2, 541 (2003).
  26. T. Mizoguchi et al., Micron 34, 249 (2003).

Outline

Information

Phys. Rev. B 71, 033202– Published 27 January, 2005
  • Received 20 July 2004

© 2005 American Physical Society

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation