6533b7defe1ef96bd12766f2

RESEARCH PRODUCT

Pressure-induced amorphization of the Y3Ga5O12 garnet studied to 1 Mbar

Virginia MonteseguroVirginia MonteseguroGaston GarbarinoMarek BerkowskiJavier Ruiz-fuertes

subject

DiffractionMaterials science02 engineering and technology010402 general chemistry01 natural scienceslaw.inventionDodecahedronAb initio quantum chemistry methodslawMaterials ChemistryPressureBulk modulusCondensed matter physicsMechanical EngineeringMetals and AlloysGarnets021001 nanoscience & nanotechnologySynchrotronAmorphization0104 chemical sciencesX-ray diffractionNanocrystalMechanics of MaterialsX-ray crystallography0210 nano-technologySingle crystal

description

We use micro-beam synchrotron x-ray diffraction to study the pressure-induced amorphization of nano-sized and single crystals of Y3Ga5O12 up to pressures exceeding 1 Mbar in static compression. The abrupt pressure-induced amorphization found for both 56 nm and bulk micrometric crystals at around 76 GPa independently of the pressure transmitting medium employed demonstrates its intrinsic nature, previously predicted at 79 GPa by ab initio calculations. The single crystal structural solution at 50 GPa shows that the contraction of the unit-cell, mostly accommodated by the compressible YO8 dodecahedra, gives rise to a regularization and tilting increase of the GaO6 polyhedra with the Y?O-Ga angle changing from 104.84° to 102.34° in 50 GPa. We obtain a bulk modulus of 178(3) GPa for the single crystal and 172(3) GPa for the nanocrystals in excellent agreement with previous calculations. V. M. and J.R–F. thank the Spanish Ministry of Science, Innovation and Universities for the Juan de la Cierva program (FJCI-2016-27921) and for project PGC-2018-097520-A-100, respectively.

10.1016/j.jallcom.2020.154678http://hdl.handle.net/10902/20583