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Equation of state of cubic hafnium(IV) nitride having Th3P4 -type structure
Authors:Dmytro A. Dzivenko  Andreas Zerr  Reinhard Boehler
Affiliation:a Fachbereich Material- und Geowissenschaften, Technische Universität Darmstadt, D-64287 Darmstadt, Germany
b LPMTM-CNRS, Université Paris Nord, F-93430 Villetaneuse, France
c Max-Planck-Institut für Chemie, Saarstraße 23, D-55122, Mainz, Germany
Abstract:Pressure dependence of the specific volume, V(P), of the recently discovered high-pressure compound Hf3N4 having cubic Th3P4-type structure (c- Hf3N4) has been measured at room temperature up to 43.9 GPa in a diamond anvil cell using energy-dispersive X-ray powder diffraction combined with synchrotron radiation. A least-square fit of the Birch-Murnaghan equation of state to the experimental V(P)-data yielded for c- Hf3N4 the bulk modulus of View the MathML source and its first pressure derivative of View the MathML source. For View the MathML source fixed at 4 the bulk modulus of c- Hf3N4 was determined to be View the MathML source. The obtained B0-value is only insignificantly below that estimated in preliminary measurements. Existing theoretical predictions for B0 scatter around the present experimental data. The observation of a high bulk modulus of c- Hf3N4 supports the suggestion that this compound could have high hardness.
Keywords:61.10.Eq   62.20.Dc   62.50.+p   64   64.30.+t
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