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Nitride Spinel: An Ultraincompressible High-Pressure Form of BeP2N4
Authors:Sebastian Vogel  Dr Maxim Bykov  Dr Elena Bykova  Sebastian Wendl  Dr Simon D Kloß  Dr Anna Pakhomova  Prof Dr Natalia Dubrovinskaia  Prof Dr Leonid Dubrovinsky  Prof Dr Wolfgang Schnick
Institution:1. Department of Chemistry, University of Munich (LMU), Butenandtstraße 5–13, 81377 Munich, Germany;2. Bayerisches Geoinstitut (BGI), University of Bayreuth, 95440 Bayreuth, Germany;3. Deutsches Elektronen-Synchrotron (DESY), 22607 Hamburg, Germany;4. Material Physics and Technology at Extreme Conditions, University of Bayreuth, 95440 Bayreuth, Germany
Abstract:Owing to its outstanding elastic properties, the nitride spinel γ-Si3N4 is of considered interest for materials scientists and chemists. DFT calculations suggest that Si3N4-analog beryllium phosphorus nitride BeP2N4 adopts the spinel structure at elevated pressures as well and shows outstanding elastic properties. Herein, we investigate phenakite-type BeP2N4 by single-crystal synchrotron X-ray diffraction and report the phase transition into the spinel-type phase at 47 GPa and 1800 K in a laser-heated diamond anvil cell. The structure of spinel-type BeP2N4 was refined from pressure-dependent in situ synchrotron powder X-ray diffraction measurements down to ambient pressure, which proves spinel-type BeP2N4 a quenchable and metastable phase at ambient conditions. Its isothermal bulk modulus was determined to 325(8) GPa from equation of state, which indicates that spinel-type BeP2N4 is an ultraincompressible material.
Keywords:Festkörperstrukturen  Hochdruckchemie  Nitride  Spinell  Synchrotronstrahlung
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