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

D. T. Maimone, A. B. Christian, J. J. Neumeier, and E. Granado
Phys. Rev. B 97, 104304 – Published 13 March 2018

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 βCuSb2O6 and tetragonal αCuSb2O6 phases at Ts=400 K is manifested in our spectra by a “repulsion” of two accidentally quasidegenerate symmetric modes below Ts, caused by a phonon mixing effect that is only operative in the monoclinic βCuSb2O6 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 TTs. A crossover from a displacive to an order-disorder transition at Ts is inferred.

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  • Received 31 January 2018

DOI:https://doi.org/10.1103/PhysRevB.97.104304

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

D. T. Maimone1, A. B. Christian2, J. J. Neumeier2, and E. Granado1

  • 1“Gleb Wataghin” Institute of Physics, University of Campinas - UNICAMP, Campinas, São Paulo 13083-859, Brazil
  • 2Department of Physics, Montana State University, Bozeman, Montana 59717, USA

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Issue

Vol. 97, Iss. 10 — 1 March 2018

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