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Lattice dynamics and high‐pressure properties of K‐ionic conducting system KNbTeO 6
Author(s) -
Paraguassu Waldeci,
Knyazev Alexander V.,
Corrêa Gregório B.,
Blokhina A.G.,
Demidov D.N.,
Ghosh Angsula
Publication year - 2020
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.6018
Subject(s) - raman spectroscopy , ionic bonding , raman scattering , lattice (music) , ion , phase transition , chemistry , spectral line , chemical physics , condensed matter physics , physics , optics , quantum mechanics , organic chemistry , acoustics
In the present work, we report results of high‐pressure Raman scattering spectroscopy, on the ionic conducting system KNbTeO 6 , as well as lattice dynamics calculations for this compound. From lattice dynamics calculation, we were able to do a definite assignment of modes for this system taking into account the disorder caused by random K occupation and shared occupation of Nb and Te ions. On the basis of the theoretical results, we discuss the changes observed in the high‐pressure Raman spectra. We report a transformation occurring around 4.7 GPa, attributed it to a structural phase transition. The Raman spectra during the decompression process reveals that all changes undergone by the structure are reversible, and the Raman spectrum recovers its original signature.