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New Metal Nitride Compounds: Can they be Synthesized at High-Pressures?

Published online by Cambridge University Press:  01 February 2011

Peter Kroll
Peter Kroll*
Affiliation:
pkroll@uta.edu, University of Texas at Arlington, Chemistry and Biochemsitry, 700 Planetarium Pl, Arlingtom, TX, 76019, United States
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Abstract

We apply our procedure of including nitrogen fugacity into thermochemical calculations to compute phase diagrams in the rhenium-nitrogen and ruthenium-nitrogen systems. The combination of first-principle and thermochemical calculations let us predict the sequential nitridation of Re at high-pressure/high-temperature conditions. At 3000 K, Re will react with nitrogen at about 32 GPa yielding ReN. Formation of ReN2 with CoSb2-type structure is predicted for pressures exceeding 50 GPa at this temperature. The recently proposed marcasite-type RuN2 will be attainable at 3000 K at pressures above 30 GPa from a mixture of Ru and RuN2.

Keywords

nitridesimulationphase transformation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1040: Symposium Q – Nitrides and Related Bulk Materials , 2007 , 1040-Q09-23
Copyright
Copyright © Materials Research Society 2008

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