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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:
[email protected], University of Texas at Arlington, Chemistry and Biochemsitry, 700 Planetarium Pl, Arlingtom, TX, 76019, United States
Jose Gracia
Affiliation:
[email protected], RWTH Aachen, Inorganic Chemistry, Aachen, 52056, Germany
Ralf Riedel
Affiliation:
[email protected], 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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