Using x-ray absorption fine structure aided by ab initio structural simulations we demonstrate the atomic scale mechanism responsible for the stabilization of the otherwise unstable and very high-j tetragonal phase of ZrO2 by the incorporation of Ge atoms. In tetragonal ZrO2 the cation has a split first coordination shell formed by eight oxygen atoms. We provide a direct experimental proof that when Ge is incorporated in the oxide, four of the eight O atoms collapse towards Ge giving rise to a local structure strongly reminiscent of that found in quartz-like GeO2, thus stabilizing the tetragonal phase.

Atomic scale mechanism for the Ge-induced stabilization of the tetragonal, very high k, phase of ZrO2

BOSCHERINI, FEDERICO;
2011

Abstract

Using x-ray absorption fine structure aided by ab initio structural simulations we demonstrate the atomic scale mechanism responsible for the stabilization of the otherwise unstable and very high-j tetragonal phase of ZrO2 by the incorporation of Ge atoms. In tetragonal ZrO2 the cation has a split first coordination shell formed by eight oxygen atoms. We provide a direct experimental proof that when Ge is incorporated in the oxide, four of the eight O atoms collapse towards Ge giving rise to a local structure strongly reminiscent of that found in quartz-like GeO2, thus stabilizing the tetragonal phase.
2011
F. Boscherini; F. d'Acapito; S.F. Galata; D. Tsoutsou; A. Dimoulas
File in questo prodotto:
Eventuali allegati, non sono esposti

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/117770
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 15
  • ???jsp.display-item.citation.isi??? 14
social impact