Lattice dynamics of BaFe2X3(X=S,Se) compounds

Z. V. Popović, M. Šćepanović, N. Lazarević, M. Opačić, M. M. Radonjić, D. Tanasković, Hechang Lei (雷和畅), and C. Petrovic
Phys. Rev. B 91, 064303 – Published 27 February 2015

Abstract

We present the Raman scattering spectra of the BaFe2X3(X=S,Se) compounds in a temperature range between 20 and 400 K. Although the crystal structures of these two compounds are both orthorhombic and very similar, they are not isostructural. The unit cell of BaFe2S3(BaFe2Se3) is base-centered Cmcm (primitive Pnma), giving 18 (36) modes to be observed in the Raman scattering experiment. We have detected almost all Raman active modes, predicted by factor group analysis, which can be observed from the cleavage planes of these compounds. Assignment of the observed Raman modes of BaFe2S(Se)3 is supported by the lattice dynamics calculations. The antiferromagnetic long-range spin ordering in BaFe2Se3 below TN=255K leaves a fingerprint both in the A1g and B3g phonon mode linewidth and energy.

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  • Received 20 May 2014
  • Revised 31 December 2014

DOI:https://doi.org/10.1103/PhysRevB.91.064303

©2015 American Physical Society

Authors & Affiliations

Z. V. Popović, M. Šćepanović, N. Lazarević, and M. Opačić

  • Center for Solid State Physics and New Materials, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade, Serbia

M. M. Radonjić

  • Scientific Computing Laboratory, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade, Serbia, and Center for Electronic Correlations and Magnetism, Theoretical Physics III, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany

D. Tanasković

  • Scientific Computing Laboratory, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade, Serbia

Hechang Lei (雷和畅)* and C. Petrovic

  • Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973-5000, USA

  • *Present address: Department of Physics, Renmin University of China, 59 Zhongguancun Street, Haidian District, Beijing 100872, China.

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Issue

Vol. 91, Iss. 6 — 1 February 2015

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