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Title: Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe 2 S 3 under pressure

Abstract

We report the recent discovery of pressure-induced superconductivity in BaFe 2S 3 and BaFe 2Se 3 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 BaFe 2S 3 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.

Authors:
; ; ; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1466723
Alternate Identifier(s):
OSTI ID: 1480887
Grant/Contract Number:  
AC02-05CH11231; AC03-76SF008; AC02-05-CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

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, and Birgeneau, Robert J. Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe2S3 under pressure. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.180402.
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. Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe2S3 under pressure. United States. doi:10.1103/PhysRevB.98.180402.
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, and Birgeneau, Robert J. Thu . "Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe2S3 under pressure". United States. doi:10.1103/PhysRevB.98.180402.
@article{osti_1466723,
title = {Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe2S3 under pressure},
author = {Zheng, Liangliang and Frandsen, Benjamin A. and Wu, Changwei and Yi, Ming and Wu, Shan and Huang, Qingzhen and Bourret-Courchesne, Edith and Simutis, G. and Khasanov, R. and Yao, Dao-Xin and Wang, Meng and Birgeneau, Robert J.},
abstractNote = {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.},
doi = {10.1103/PhysRevB.98.180402},
journal = {Physical Review B},
number = 18,
volume = 98,
place = {United States},
year = {2018},
month = {11}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865