Pressure-Induced Sublattice Disordering in SnO2: Invasive Selective Percolation

Helainne T. Girao, Patrick Hermet, Bruno Masenelli, Julien Haines, Patrice Mélinon, and Denis Machon
Phys. Rev. Lett. 120, 265702 – Published 27 June 2018
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Abstract

SnO2 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 SnO2 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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  • Received 16 March 2018
  • Revised 4 May 2018

DOI:https://doi.org/10.1103/PhysRevLett.120.265702

© 2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Helainne T. Girao1, Patrick Hermet2, Bruno Masenelli3, Julien Haines2, Patrice Mélinon1, and Denis Machon1,*

  • 1Institut Lumière Matière, Université de Lyon, Université Claude Bernard Lyon 1, CNRS UMR 5306, 69622 Villeurbanne, France
  • 2ICGM, CNRS, Université de Montpellier, ENSCM, UMR 5253, 34095 Montpellier CEDEX 5, France
  • 3Institut des Nanotechnologies de Lyon INL CNRS-UMR5270, INSA-Lyon, 69622 Villeurbanne, France

  • *denis.machon@univ-lyon1.fr

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Issue

Vol. 120, Iss. 26 — 29 June 2018

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