Spin glass and semiconducting behavior in one-dimensional BaFe 2-δSe 3

Bayrammurad Saparov, Stuart Calder, Balazs Sipos, Huibo Cao, Songxue Chi, David J. Singh, Andrew D. Christianson, Mark D. Lumsden, Athena S. Sefat

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59 Scopus citations

Abstract

We investigate the physical properties and electronic structure of BaFe 1.79(2)Se 3 crystals, which were grown out of tellurium flux. The crystal structure of the compound, an iron-deficient derivative of the ThCr 2Si 2-type, is built upon edge-shared FeSe 4 tetrahedra fused into double chains. The semiconducting BaFe 1.79(2)Se 3295K = 0.18 Ω•cm and E g = 0.30 eV) does not order magnetically; however, there is evidence for short-range magnetic correlations of spin glass type (T f 50 K) in magnetization, heat capacity, and neutron diffraction results. A one-third substitution of selenium with sulfur leads to a slightly higher electrical conductivity (ρ 295K = 0.11 Ω•cm and E g = 0.22 eV) and a lower spin glass freezing temperature (T f 15 K), corroborating with higher electrical conductivity reported for BaFe 2S 3. According to the electronic structure calculations, BaFe 2Se 3 can be considered as a one-dimensional ladder structure with a weak interchain coupling.

Original languageEnglish
Article number245132
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume84
Issue number24
DOIs
StatePublished - Dec 28 2011

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