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Phase Transitions in Silicon-Carbon-Nitride Compounds

Published online by Cambridge University Press:  01 February 2011

Peter Kroll ,
Jose Gracia  and
Ralf Riedel
Peter Kroll
Affiliation:
pkroll@uta.edu, University of Texas at Arlington, Chemistry and Biochemsitry, 700 Planetarium Pl, Arlingtom, TX, 76019, United States
Jose Gracia
Affiliation:
jose.gracia@ac.rwth-aachen.de, RWTH Aachen, Inorganic Chemistry, Aachen, 52056, Germany
Ralf Riedel
Affiliation:
riedel@materials.tu-darmstadt.de, TU Darmstadt, Institut fuer Materialwissenschaft, Darmstadt, 64287, Germany
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Abstract

The crystal structures of α-Si(NCN)2 and Si2N2(NCN) undergo phase transformations upon compression. A new modification of HP-Si(NCN)2 exhibits all Si atoms in octahedral coordination to N and may be achievable below 30 GPa. In Si2N2(NCN) we find partial increase of coordination for Si, C, and N atoms at about 60 GPa. In both cases, the carbodiimide moiety is the source for the internal reaction that lead to compactification of the structure at elevated pressures. We present 29Si NMR chemical shifts that may help to identify the new coordination environments.

Keywords

nitridesimulationphase transformation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1040: Symposium Q – Nitrides and Related Bulk Materials , 2007 , 1040-Q09-26
Copyright
Copyright © Materials Research Society 2008

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References

[1] Riedel, R., Horvath-Bordon, E., Kleebe, H.-J., Kroll, P., Miehe, G., P. A. van Aken, and Lauterbach, S., J. Chin. Ceram. Soc. 2007, 35, 955.Google Scholar
[2] Riedel, R., Greiner, A., Miehe, G., Dressler, W., Fuess, H., Bill, J., Aldinger, F., Angew. Chem. Int. Ed. Engl., 1997, 36, 603.Google Scholar
[3] Lowther, J. E., Phys. Rev. B, 1999, 60, 11943.10.1103/PhysRevB.60.11943Google Scholar
[4] Lowther, J. E., Amkreutz, M., Frauenheim, Th., Kroke, E., Riedel, R., Phys. Rev. B, 2003, 68, 0332011.Google Scholar
[5] Kroll, P., J. Solid State Chem., 2003, 176, 530.Google Scholar
[6] Kroll, P., Riedel, R., Hoffman, R., Phys. Rew. B, 1999, 60, 3126.10.1103/PhysRevB.60.3126Google Scholar
[7] Kroll, P. and Hoffmann, R., J. Am. Chem. Soc. 1999, 121, 4696.Google Scholar
[8] Kresse, G., Hafner, J., J. Phys. Rev. B 1993, 47, 558.Google Scholar
[9] Kresse, G., Hafner, J., J. Phys. Rev. B 1994, 49, 14251.Google Scholar
[10] Kresse, G., Furthmüller, J., J. Comput. Mater. Sci. 1996, 6, 15.10.1016/0927-0256(96)00008-0Google Scholar
[11] Kresse, G., Furthmüller, J., J. Phys. Rev. B 1996, 54, 11169.Google Scholar
[12] Solozhenko, V. L., Schwarz, M., Riedel, R., Solid State Comunications, 2004, 132, 573–576 10.1016/j.ssc.2004.08.032Google Scholar
[13] Carduner, K. R., Blackwell, C. S., Hammond, W. B., Reidinger, F., and Hatfield, G. R., J. Am. Chem. Soc., 1990, 112, 4676.10.1021/ja00168a008Google Scholar
[14] Sekine, T., Tansho, M., and Kanzaki, M., Appl. Phys. Lett., 2001, 78, 3050.Google Scholar
[15] Greiner, A., Dissertation, TU Darmstadt, 1997Google Scholar