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Article
Learning crystal field parameters using convolutional neural networks
Ames Laboratory Accepted Manuscripts
  • Noah F. Berthusen, Iowa State University and Ames Laboratory
  • Yuriy Sizyuk, Iowa State University and Ames Laboratory
  • Mathias S. Scheurer, Harvard University and University of Innsbruck
  • Peter Orth, Iowa State University and Ames Laboratory
Publication Date
7-14-2021
Department
Ames Laboratory; Electrical and Computer Engineering; Physics and Astronomy
OSTI ID+
1807978
Report Number
IS-J 10548
DOI
10.21468/SciPostPhys.11.1.011
Journal Title
SciPost Physics
Abstract

We present a deep machine learning algorithm to extract crystal field (CF) Stevens parameters from thermodynamic data of rare-earth magnetic materials. The algorithm employs a two-dimensional convolutional neural network (CNN) that is trained on magnetization, magnetic susceptibility and specific heat data that is calculated theoretically within the single-ion approximation and further processed using a standard wavelet transformation. We apply the method to crystal fields of cubic, hexagonal and tetragonal symmetry and for both integer and half-integer total angular momentum values J of the ground state multiplet. We evaluate its performance on both theoretically generated synthetic and previously published experimental data on CeAgSb 2 , PrAgSb 2 and PrMg 2 Cu 9 , and find that it can reliably and accurately extract the CF parameters for all site symmetries and values of J considered. This demonstrates that CNNs provide an unbiased approach to extracting CF parameters that avoids tedious multi-parameter fitting procedures.

DOE Contract Number(s)
AC02-07CH11358; DMR-2002850
Language
en
Publisher
Iowa State University Digital Repository, Ames IA (United States)
Citation Information
Noah F. Berthusen, Yuriy Sizyuk, Mathias S. Scheurer and Peter Orth. "Learning crystal field parameters using convolutional neural networks" Vol. 11 Iss. 1 (2021) p. 011
Available at: http://works.bepress.com/peter-orth/45/