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Title: Lattice disorder effect on magnetic ordering of iron arsenides

Abstract

This study investigates magnetic ordering temperature in nano- and mesoscale structural features in an iron arsenide. Although magnetic ground states in quantum materials can be theoretically predicted from known crystal structures and chemical compositions, the ordering temperature is harder to pinpoint due to potential local lattice variations that calculations may not account for. In this work we find surprisingly that a locally disordered material can exhibit a significantly larger Néel temperature (TN) than an ordered material of precisely the same chemical stoichiometry. Here, a EuFe2As2 crystal, which is a ‘122’ parent of iron arsenide superconductors, is found through synthesis to have ordering below TN = 195 K (for the locally disordered crystal) or TN = 175 K (for the ordered crystal). In the higher TN crystals, there are shorter planar Fe-Fe bonds [2.7692(2) Å vs. 2.7745(3) Å], a randomized in-plane defect structure, and diffuse scattering along the [00 L] crystallographic direction that manifests as a rather broad specific heat peak. For the lower TN crystals, the a-lattice parameter is larger and the in-plane microscopic structure shows defect ordering along the antiphase boundaries, giving a larger TN and a higher superconducting temperature (Tc) upon the application of pressure. First-principles calculations findmore » a strong interaction between c-axis strain and interlayer magnetic coupling, but little impact of planar strain on the magnetic order. Neutron single-crystal diffraction shows that the low-temperature magnetic phase transition due to localized Eu moments is not lattice or disorder sensitive, unlike the higher-temperature Fe sublattice ordering. This study demonstrates a higher magnetic ordering point arising from local disorder in 122.« less

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [1];  [2];  [2]; ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. of Alabama, Birmingham, AL (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1606710
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; condensed-matter physics; materials science

Citation Formats

Sefat, Athena Sefa, Wang, Xiaoping P., Liu, Yaohua, Zou, Qiang, Fu, Mimgming, Gai, Zheng, Ganesan, Kalaiselvan, Vohra, Yogesh, Li, Li, and Parker, David S. Lattice disorder effect on magnetic ordering of iron arsenides. United States: N. p., 2019. Web. https://doi.org/10.1038/s41598-019-56301-5.
Sefat, Athena Sefa, Wang, Xiaoping P., Liu, Yaohua, Zou, Qiang, Fu, Mimgming, Gai, Zheng, Ganesan, Kalaiselvan, Vohra, Yogesh, Li, Li, & Parker, David S. Lattice disorder effect on magnetic ordering of iron arsenides. United States. https://doi.org/10.1038/s41598-019-56301-5
Sefat, Athena Sefa, Wang, Xiaoping P., Liu, Yaohua, Zou, Qiang, Fu, Mimgming, Gai, Zheng, Ganesan, Kalaiselvan, Vohra, Yogesh, Li, Li, and Parker, David S. Fri . "Lattice disorder effect on magnetic ordering of iron arsenides". United States. https://doi.org/10.1038/s41598-019-56301-5. https://www.osti.gov/servlets/purl/1606710.
@article{osti_1606710,
title = {Lattice disorder effect on magnetic ordering of iron arsenides},
author = {Sefat, Athena Sefa and Wang, Xiaoping P. and Liu, Yaohua and Zou, Qiang and Fu, Mimgming and Gai, Zheng and Ganesan, Kalaiselvan and Vohra, Yogesh and Li, Li and Parker, David S.},
abstractNote = {This study investigates magnetic ordering temperature in nano- and mesoscale structural features in an iron arsenide. Although magnetic ground states in quantum materials can be theoretically predicted from known crystal structures and chemical compositions, the ordering temperature is harder to pinpoint due to potential local lattice variations that calculations may not account for. In this work we find surprisingly that a locally disordered material can exhibit a significantly larger Néel temperature (TN) than an ordered material of precisely the same chemical stoichiometry. Here, a EuFe2As2 crystal, which is a ‘122’ parent of iron arsenide superconductors, is found through synthesis to have ordering below TN = 195 K (for the locally disordered crystal) or TN = 175 K (for the ordered crystal). In the higher TN crystals, there are shorter planar Fe-Fe bonds [2.7692(2) Å vs. 2.7745(3) Å], a randomized in-plane defect structure, and diffuse scattering along the [00 L] crystallographic direction that manifests as a rather broad specific heat peak. For the lower TN crystals, the a-lattice parameter is larger and the in-plane microscopic structure shows defect ordering along the antiphase boundaries, giving a larger TN and a higher superconducting temperature (Tc) upon the application of pressure. First-principles calculations find a strong interaction between c-axis strain and interlayer magnetic coupling, but little impact of planar strain on the magnetic order. Neutron single-crystal diffraction shows that the low-temperature magnetic phase transition due to localized Eu moments is not lattice or disorder sensitive, unlike the higher-temperature Fe sublattice ordering. This study demonstrates a higher magnetic ordering point arising from local disorder in 122.},
doi = {10.1038/s41598-019-56301-5},
journal = {Scientific Reports},
number = 1,
volume = 9,
place = {United States},
year = {2019},
month = {12}
}

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