First-order magnetic and structural phase transitions in Fe1+ySexTe1x

Shiliang Li, Clarina de la Cruz, Q. Huang, Y. Chen, J. W. Lynn, Jiangping Hu, Yi-Lin Huang, Fong-Chi Hsu, Kuo-Wei Yeh, Maw-Kuen Wu, and Pengcheng Dai
Phys. Rev. B 79, 054503 – Published 2 February 2009

Abstract

We use bulk magnetic susceptibility, electronic specific heat, and neutron scattering to study structural and magnetic phase transitions in Fe1+ySexTe1x. Fe1.068Te exhibits a first-order phase transition near 67 K with a tetragonal-to-monoclinic structural transition and simultaneously develops a collinear antiferromagnetic (AF) order responsible for the entropy change across the transition. Systematic studies of the FeSe1xTex system reveal that the AF structure and lattice distortion in these materials are different from those of FeAs-based pnictides. These results call into question the conclusions of present density-functional calculations, where FeSe1xTex and FeAs-based pnictides are expected to have similar Fermi surfaces and therefore the same spin-density wave AF order.

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  • Received 2 November 2008

DOI:https://doi.org/10.1103/PhysRevB.79.054503

©2009 American Physical Society

Authors & Affiliations

Shiliang Li1, Clarina de la Cruz1,2, Q. Huang3, Y. Chen3, J. W. Lynn3, Jiangping Hu4, Yi-Lin Huang5, Fong-Chi Hsu5, Kuo-Wei Yeh5, Maw-Kuen Wu5, and Pengcheng Dai1,2

  • 1Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996-1200, USA
  • 2Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6393, USA
  • 3NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA
  • 4Department of Physics, Purdue University, West Lafayette, Indiana 47907, USA
  • 5Institute of Physics, Academia Sinica, Nankang, Taipei, Taiwan

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Vol. 79, Iss. 5 — 1 February 2009

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