The oxidation state of iron in some BaFeS phases: A Mössbauer and electrical resistivity investigation of Ba2FeS3, Ba7Fe6S14, Ba6Fe8S15, BaFe2S3, and Ba9Fe16S32

Reiff, W. M.; Grey, Ian E.; Fan, A. K.; Eliezer, Z.; Steinfink, H.

doi:10.1016/0022-4596(75)90078-x

Cited by 64 publications

(51 citation statements)

References 18 publications

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“…The major doublet exhibits rather narrow lines indicating unique iron site in the magnetically disordered BaFe 2 Se 3 compound. A total spectral shift and quadrupole splitting confirm that iron stays in the mixedvalence state [12]. The spectrum obtained at 4.2 K could be fitted by six different iron sites.…”

Section: Resultsmentioning

confidence: 64%

Magnetism of BaFe2Se3 studied by Mössbauer spectroscopy

Komędera

Jasek

Błachowski

et al. 2015

Solid State Communications

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The compound BaFe 2 Se 3 (Pnma) has been synthesized in the form of single crystals with the average composition Ba 0.992 Fe 1.998 Se 3 . The Mössbauer spectroscopy used for investigation of the valence states of Fe in this compound at temperature ranging from 4.2 K till room temperature revealed the occurrence of mixed-valence state for iron. The spectrum is characterized by sharply defined electric quadrupole doublet above magnetic ordering at about 250 K. For the magnetically ordered state one sees four iron sites at least and each of them is described by separate axially symmetric electric field gradient tensor with the principal component making some angle with the hyperfine magnetic field. They form two groups occurring in equal abundances. It is likely that each group belongs to separate spin ladder with various tilts of the FeSe 4 tetrahedral units along the ladder. Two impurity phases are found, i.e., superconducting FeSe and some other unidentified iron-bearing phase being magnetically disordered above 80 K. Powder form of BaFe 2 Se 3 is unstable in contact with the air and decomposes slowly to this unidentified phase exhibiting almost the same quadrupole doublet as BaFe 2 Se 3 above magnetic transition temperature.2

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Section: Resultsmentioning

confidence: 64%

Magnetism of BaFe2Se3 studied by Mössbauer spectroscopy

Komędera

Jasek

Błachowski

et al. 2015

Solid State Communications

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“…Such CX-AFM order was also predicted to be the ground state of BaFe 2 S 3 , which was later also confirmed using neutron techniques [33]. Un-der ambient conditions, BaFe 2 S 3 has a semiconducting ground state with a very small gap about 0.06 − 0.07 eV [34,35]. The most striking recent experimental discovery is that high pressure can drive BaFe 2 S 3 to become superconducting when the hydrostatic pressure exceeds about 11 GPa [33] and its highest T c can reach 24 K at 13.5 GPa [36].…”

Section: Introductionmentioning

confidence: 62%

Pressure-driven phase transition from antiferromagnetic semiconductor to nonmagnetic metal in the two-leg ladders AFe2X3 ( A=Ba,K

et al. 2017

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The recent discovery of superconductivity in BaFe2S3 [Takahashi et al., Nat. Mater. 14, 1008(2015] has stimulated considerable interest in 123-type iron chalcogenides. This material is the first reported iron-based two-leg ladder superconductor, as opposed to the prevailing two-dimensional layered structures of the iron superconductors family. Once the hydrostatic pressure exceeds 11 GPa, BaFe2S3 changes from a semiconductor to a superconductor below 24 K. Although previous calculations correctly explained its ground state magnetic state and electronic structure, the pressure induced phase transition was not successfully reproduced. In this work, our first principles calculations find that with increasing pressure the lattice constants as well as local magnetic moments are gradually suppressed, followed by a first-order magnetic transition at a critical pressure, with local magnetic moments dropping to zero suddenly. Our calculations suggests that the self-doping caused by electrons transferred from S to Fe may play a key role in this transition. The development of a nonmagnetic metallic phase at high pressure may pave the way to superconductivity. As extensions of this effort, two other 123-type iron chalcogenides, KFe2S3 and KFe2Se3, have also been investigated. KFe2S3 also displays a first-order transition with increasing pressure, but KFe2Se3 shows instead a second-order, or weakly first-order, transition. The required pressures for KFe2S3 and KFe2Se3 to quench the magnetism are higher than for BaFe2S3. Further experiments can confirm the predicted first-order nature of the transition in BaFe2S3 and KFe2S3, as well as the possible metallic/superconductivity state in other 123-type iron chalcogenides under high pressure.

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“…1(c) 15-22 . The thermal activation gap in BaFe 2 S 3 (∼ 70meV ) 16 is the smallest among the Fe-based ladder compounds, and photoemission studies suggest that both localized and itinerant 3d electrons coexist at room temeprature 23 . The FeX (X = Se, S, As, and P) tetrahedra are common among the 1D AF ladder and 2D stripe ordered materials [24][25][26][27] .…”

Section: Pacs Numbersmentioning

confidence: 99%