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research article

Order parameters for antiferromagnetic structures: A first-principles study of iridium manganese

Walsh, Flynn
•
Natarajan, Anirudh Raju  
•
Van der Ven, Anton
April 4, 2022
Physical Review Materials

We use density-functional theory to study the ordered states of iridium manganese, demonstrating a simple but powerful method for describing magnetic structures and the transitions among them. As an illustrative example, the coupling of magnetism and crystal structure in IrMn is examined through a rigorous exploration of strain space. We then generate order parameters for the ground-state magnetic structures, providing a comprehensive framework for understanding antiferromagnetic variants and their magnetic anisotropy. In particular, we show how the most direct path between two variant structures can be analytically determined; this technique is used to equate two seemingly contradictory prior studies.

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Type
research article
DOI
10.1103/PhysRevMaterials.6.044402
Web of Science ID

WOS:000783790800003

Author(s)
Walsh, Flynn
Natarajan, Anirudh Raju  
Van der Ven, Anton
Date Issued

2022-04-04

Publisher

AMER PHYSICAL SOC

Published in
Physical Review Materials
Volume

6

Issue

4

Article Number

044402

Subjects

Materials Science, Multidisciplinary

•

Materials Science

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
MADES  
Available on Infoscience
May 9, 2022
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/187716
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