First-order magnetic and structural phase transitions in Fe${}_{1+y}$Se${}_x$Te${}_{1-x}$

Abstract

We use bulk magnetic susceptibility, electronic specific heat, and neutron scattering to study structural and magnetic phase transitions in Fe${}_{1+y}$Se% ${}_x$Te${}_{1-x}$. Fe${}_{1.068}$Te 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 FeSeTe${}_x$ 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 FeSe${}_{1-x}$Te${}_x$ and FeAs-based pnictides are expected to have similar Fermi surfaces and therefore the same spin-density-wave AF order.

5 pages, 3 figures

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