Temperature-dependent EXAFS reveals strongly anisotropic thermal vibrations in hcp zinc across eight coordination shells, and fine-tuning the CHGNet machine-learning potential restores agreement with the measured X-ray spectra.
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Local lattice dynamics of hcp zinc from EXAFS and machine-learning interatomic potentials
Temperature-dependent EXAFS reveals strongly anisotropic thermal vibrations in hcp zinc across eight coordination shells, and fine-tuning the CHGNet machine-learning potential restores agreement with the measured X-ray spectra.