Model-free reconstruction of magnetic correlations in frustrated magnets

Nikolaj Roth; Andrew F. May; Feng Ye; Bryan C. Chakoumakos; Bo Brummerstedt Iversen

doi:10.1107/S2052252518006590

Model-free reconstruction of magnetic correlations in frustrated magnets

Nikolaj Roth, Andrew F. May, Feng Ye, Bryan C. Chakoumakos, Bo Brummerstedt Iversen

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

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-x Fe x) 2 O 3, which reveals nearest-neighbor antiferromagnetic correlations for the metal sites up to a range of approximately 15 Å. Importantly, this technique allows for magnetic correlations to be determined directly from the experimental data without any assumption about the atomic structure.

Original language	English
Pages (from-to)	410-416
Number of pages	7
Journal	IUCrJ
Volume	5
DOIs	https://doi.org/10.1107/S2052252518006590
State	Published - 2018

Funding

A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Physical property characterization (AFM) was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. The work was supported by the Danish Foundation (DNRF93). The authors gratefully acknowledge Bent Ørsted and Kasper Tolborg for fruitful discussions. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Physical property characterization (AFM) was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

Funders	Funder number
Danish Foundation	DNRF93
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Oak Ridge National Laboratory
Division of Materials Sciences and Engineering

Keywords

frustrated magnets
magnetic correlations
magnetic diffuse scattering
three-dimensional magnetic pair distribution function

Access to Document

10.1107/S2052252518006590

Cite this

@article{1c4d150c57884f1e81ff63ed32e59ae0,

title = "Model-free reconstruction of magnetic correlations in frustrated magnets",

abstract = "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-x Fe x) 2 O 3, which reveals nearest-neighbor antiferromagnetic correlations for the metal sites up to a range of approximately 15 {\AA}. Importantly, this technique allows for magnetic correlations to be determined directly from the experimental data without any assumption about the atomic structure.",

keywords = "frustrated magnets, magnetic correlations, magnetic diffuse scattering, three-dimensional magnetic pair distribution function",

author = "Nikolaj Roth and May, {Andrew F.} and Feng Ye and Chakoumakos, {Bryan C.} and Iversen, {Bo Brummerstedt}",

note = "Publisher Copyright: {\textcopyright} 2018 Nikolaj Roth et al.",

year = "2018",

doi = "10.1107/S2052252518006590",

language = "English",

volume = "5",

pages = "410--416",

journal = "IUCrJ",

issn = "2052-2525",

publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - Model-free reconstruction of magnetic correlations in frustrated magnets

AU - Roth, Nikolaj

AU - May, Andrew F.

AU - Ye, Feng

AU - Chakoumakos, Bryan C.

AU - Iversen, Bo Brummerstedt

PY - 2018

Y1 - 2018

N2 - 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-x Fe x) 2 O 3, which reveals nearest-neighbor antiferromagnetic correlations for the metal sites up to a range of approximately 15 Å. Importantly, this technique allows for magnetic correlations to be determined directly from the experimental data without any assumption about the atomic structure.

AB - 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-x Fe x) 2 O 3, which reveals nearest-neighbor antiferromagnetic correlations for the metal sites up to a range of approximately 15 Å. Importantly, this technique allows for magnetic correlations to be determined directly from the experimental data without any assumption about the atomic structure.

KW - frustrated magnets

KW - magnetic correlations

KW - magnetic diffuse scattering

KW - three-dimensional magnetic pair distribution function

UR - http://www.scopus.com/inward/record.url?scp=85049608857&partnerID=8YFLogxK

U2 - 10.1107/S2052252518006590

DO - 10.1107/S2052252518006590

M3 - Article

AN - SCOPUS:85049608857

SN - 2052-2525

VL - 5

SP - 410

EP - 416

JO - IUCrJ

JF - IUCrJ

ER -

Model-free reconstruction of magnetic correlations in frustrated magnets

Abstract

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this