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LiFePO4 phase diagram calculations

This repository contains the calculated phase diagram of LiFePO4 for two sets of parameters, from Yiu et al.1 and Toft-Petersen et al.2, as described in the paper S. Holm-Janas et al. "Magnetic structure and magnetoelectric properties of the spin-flop phase in LiFePO₄".

The calculations uses the mean-field approximation as implemented in the McPhase program.

Note that some output files have been compressed with gzip.

There is a Python script to plot the data as shown in the paper, which requires numpy and matplotlib.

License

Creative Commons License
This work by Manh Duc Le is licensed under a Creative Commons Attribution 4.0 International License.

Footnotes

  1. Y. Yiu et al., Physical Review B 95, 104409 (2017)

  2. R. Toft-Petersen et al., Physical Review B 92, 24404 (2015)

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LiFePO4 mean-field phase diagram calculated by McPhase

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