Nitride Spinel: An Ultraincompressible High-Pressure Form of BeP(2) N(4)

氮化物尖晶石:BeP(2)N(4) 的超不可压缩高压形式

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Abstract

Owing to its outstanding elastic properties, the nitride spinel γ-Si(3) N(4) is of considered interest for materials scientists and chemists. DFT calculations suggest that Si(3) N(4) -analog beryllium phosphorus nitride BeP(2) N(4) adopts the spinel structure at elevated pressures as well and shows outstanding elastic properties. Herein, we investigate phenakite-type BeP(2) N(4) 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 BeP(2) N(4) was refined from pressure-dependent in situ synchrotron powder X-ray diffraction measurements down to ambient pressure, which proves spinel-type BeP(2) N(4) 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 BeP(2) N(4) is an ultraincompressible material.

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