Pressure-induced amorphization mechanism in Eu2(MoO4)3

Autor: Denis Machon, O. Le Bacq, Alain Pasturel, Denis Testemale
Rok vydání: 2011
Předmět:
Zdroj: Physical Review B. 83
ISSN: 1550-235X
1098-0121
DOI: 10.1103/physrevb.83.214101
Popis: We identify a mechanism responsible for amorphization of rare-earth molybdate isostructural compounds by means of x-ray absorption spectroscopy (XAS) and Raman spectroscopy as well as first-principles calculations. Our present Raman spectra show that both ${\ensuremath{\beta}}^{\ensuremath{'}}$ and $\ensuremath{\alpha}$-Eu${}_{2}$(MoO${}_{4}$)${}_{3}$ undergo a pressure-induced amorphization. Both first-principles calculations and XAS measurements explain the process of amorphization by a spatial self-reorganization of the oxygen clouds around the Mo and Eu subnetworks as the pressure is increased inducing a change in the coordination number of the Mo atoms. This latter transforms the ${e}_{g}$ crystal field of the tetrahedra into a series of stabilization-degenerated peaks, which energetically favors a disordered overlapping of the former MoO${}_{4}$ tetrahedra instead of a mere ordered compression and rotation of these fragments.
Databáze: OpenAIRE