Lattice dynamics of ASb2O6 (A=Cu,Co) with trirutile structure

Abstract

Raman spectroscopy experiments on single crystals of CuSb2O6 and CoSb2O6 quasi-one-dimensional antiferromagnets with trirutile crystal structure were performed, with a focus on the first material. The observed Raman-active phonon modes and previously reported infrared-active modes were identified with the aid of ab-initio lattice dynamics calculations. The structural transition between monoclinic beta-CuSb2O6 and tetragonal alpha-CuSb2O6 phases at Ts=400 K is manifested in our spectra by a "repulsion" of two accidentally quasi-degenerate symmetric modes below Ts, caused by a phonon mixing effect that is only operative in the monoclinic beta-CuSb2O6 phase due to symmetry restrictions. Also, two specific phonons, associated with CuO6 octahedra rotation and with a Jahn-Teller elongation mode, soften and broaden appreciably as T -> Ts. A crossover from a displacive to an order-disorder transition at Ts is inferred.

arXiv comment11 pages, 9 figures, 5 tables

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Cited by in corpus (2)

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• The H${}_x$Li${}_{1-x}$TaWO${}_6.n$H${}_2$O trirutile structure characterization through Raman and IR spectra comparison: The non-center symmetric case