Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe2S3 under pressure

Zheng, Liangliang; Frandsen, Benjamin A.; Wu, Changwei; Yi, Ming; Wu, Shan; Huang, Qingzhen; Bourret-Courchesne, Edith; Simutis, G.; Khasanov, R.; Yao, Dao-Xin; Wang, Meng; Birgeneau, Robert J.

doi:10.1103/PhysRevB.98.180402

Title: Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material ${BaFe}_{2} S_{3}$ under pressure

Journal Article · Thu Nov 01 00:00:00 EDT 2018 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.98.180402· OSTI ID:1466723

Zheng, Liangliang; Frandsen, Benjamin A.; Wu, Changwei; Yi, Ming; Wu, Shan; Huang, Qingzhen; Bourret-Courchesne, Edith; Simutis, G.; Khasanov, R.; Yao, Dao-Xin; Wang, Meng; Birgeneau, Robert J.

We report the recent discovery of pressure-induced superconductivity in BaFe₂S₃ and BaFe₂Se₃ has generated considerable interest in the 123-type iron chalcogenides. The structure of these materials features iron atoms arranged in quasi-one-dimensional ladders with either stripe-type or block-type antiferromagnetism at ambient pressure, constituting a new parent state for iron-based superconductivity in need of detailed study. Here, we report pressure-dependent neutron diffraction and muon spin relaxation/rotation measurements combined with first-principles calculations to investigate the structural, magnetic, and electronic properties of BaFe₂S₃ under pressure. The experimental results reveal a gradual enhancement of the stripe-type ordering temperature with increasing pressure up to 2.6 GPa and no observable change in the size of the ordered moment. The ab initio calculations suggest that the magnetism is highly sensitive to the Fe-S bond lengths and angles, clarifying discrepancies with previously published results. In contrast to our experimental observations, the calculations predict a reduction of the ordered moment with pressure. In conclusion, we suggest that the robustness of the stripe-type antiferromagnetism is due to strong electron correlations not fully considered in the calculations.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; AC03-76SF008; AC02-05-CH11231

OSTI ID:: 1466723

Alternate ID(s):: OSTI ID: 1480887

Journal Information:: Physical Review B, Vol. 98, Issue 18; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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Iron-Based Chalcogenide Spin Ladder BaFe2X3 (X = Se,S) Wu, Shan; Frandsen, Benjamin A.; Wang, Meng Journal of Superconductivity and Novel Magnetism, Vol. 33, Issue 1 https://doi.org/10.1007/s10948-019-05304-4	journal	November 2019

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