Pressure-Induced Sublattice Disordering in SnO_{2}: Invasive Selective Percolation

Physical Review Letters
Helainne T GiraoDenis Machon

Abstract

SnO_{2} powders and single crystal have been studied under high pressure using Raman spectroscopy and ab initio simulations. The pressure-induced changes are shown to drastically depend on the form of the samples. The single crystal exhibits phase transitions as reported in the literature, whereas powder samples show a disordering of the oxygen sublattice in the first steps of compression. This behavior is proposed to be related to the defect density, an interpretation supported by ab initio simulations. The link between the defect density and an amorphouslike Raman signal is discussed in terms of the invasive percolation of the anionic sublattice. The resistance of the cationic sublattice to the disorder propagation is discussed in terms of cation close packing. This result on SnO_{2} may be extended to other systems and questions a "traditional" crystallographic description based on polyhedra packing, as a decoupling between both sublattices is observed.

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Citations

Jul 6, 2019·Journal of Synchrotron Radiation·Daniel SneedAshkan Salamat
Aug 23, 2019·The Journal of Physical Chemistry Letters·Dean SmithAshkan Salamat
Aug 8, 2019·Inorganic Chemistry·Virginia MonteseguroCatalin Popescu

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