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Title: Model-free reconstruction of magnetic correlations in frustrated magnets

Frustrated magnetic systems exhibit extraordinary physical properties, but quantification of their magnetic correlations poses a serious challenge to experiment and theory. Current insight into frustrated magnetic correlations relies on modelling techniques such as reverse Monte-Carlo methods, which require knowledge about the exact ordered atomic structure. Here, we present a method for direct reconstruction of magnetic correlations in frustrated magnets by three-dimensional difference pair distribution function analysis of neutron total scattering data. The methodology is applied to the disordered frustrated magnet bixbyite, (Mn 1–xFe x) 2O 3, which reveals nearest-neighbor antiferromagnetic correlations for the metal sites up to a range of approximately 15 Å. Pertinently, this technique allows for magnetic correlations to be determined directly from the experimental data without any assumption about the atomic structure.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [2] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Aarhus Univ., Aarhus (Denmark)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
IUCrJ
Additional Journal Information:
Journal Volume: 5; Journal Issue: 4; Journal ID: ISSN 2052-2525
Publisher:
International Union of Crystallography
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; three-dimensional magnetic pair distribution function; magnetic correlations; frustrated magnets; magnetic diffuse scattering
OSTI Identifier:
1465027

Roth, Nikolaj, May, Andrew F., Ye, Feng, Chakoumakos, Bryan C., and Iversen, Bo Brummerstedt. Model-free reconstruction of magnetic correlations in frustrated magnets. United States: N. p., Web. doi:10.1107/S2052252518006590.
Roth, Nikolaj, May, Andrew F., Ye, Feng, Chakoumakos, Bryan C., & Iversen, Bo Brummerstedt. Model-free reconstruction of magnetic correlations in frustrated magnets. United States. doi:10.1107/S2052252518006590.
Roth, Nikolaj, May, Andrew F., Ye, Feng, Chakoumakos, Bryan C., and Iversen, Bo Brummerstedt. 2018. "Model-free reconstruction of magnetic correlations in frustrated magnets". United States. doi:10.1107/S2052252518006590. https://www.osti.gov/servlets/purl/1465027.
@article{osti_1465027,
title = {Model-free reconstruction of magnetic correlations in frustrated magnets},
author = {Roth, Nikolaj and May, Andrew F. and Ye, Feng and Chakoumakos, Bryan C. and Iversen, Bo Brummerstedt},
abstractNote = {Frustrated magnetic systems exhibit extraordinary physical properties, but quantification of their magnetic correlations poses a serious challenge to experiment and theory. Current insight into frustrated magnetic correlations relies on modelling techniques such as reverse Monte-Carlo methods, which require knowledge about the exact ordered atomic structure. Here, we present a method for direct reconstruction of magnetic correlations in frustrated magnets by three-dimensional difference pair distribution function analysis of neutron total scattering data. The methodology is applied to the disordered frustrated magnet bixbyite, (Mn1–xFex)2O3, which reveals nearest-neighbor antiferromagnetic correlations for the metal sites up to a range of approximately 15 Å. Pertinently, this technique allows for magnetic correlations to be determined directly from the experimental data without any assumption about the atomic structure.},
doi = {10.1107/S2052252518006590},
journal = {IUCrJ},
number = 4,
volume = 5,
place = {United States},
year = {2018},
month = {6}
}

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