Issue 39, 2021

Low-frequency vibrational spectroscopy: a new tool for revealing crystalline magnetic structures in iron phosphate crystals

Abstract

In this report, the strong-dependence of low-frequency (terahertz) vibrational dynamics on weak and long-range forces in crystals is leveraged to determine the bulk magnetic configuration of iron phosphate – a promising material for cathodes in lithium ion batteries. We demonstrate that terahertz time-domain spectroscopy – coupled with quantum mechanical simulations – can discern between various spin configurations in FePO4. Furthermore, the results of this work unambiguously show that the well-accepted space group symmetry for FePO4 is incorrect, and the low-frequency spectroscopic measurements provide a clearer picture of the correct structure over the gold-standard of X-ray diffraction. This work opens the door for characterizing, predicting, and interpreting crystalline magnetic ordering using low-frequency vibrational spectroscopy.

Graphical abstract: Low-frequency vibrational spectroscopy: a new tool for revealing crystalline magnetic structures in iron phosphate crystals

Supplementary files

Article information

Article type
Communication
Submitted
26 júl. 2021
Accepted
26 sep. 2021
First published
27 sep. 2021

Phys. Chem. Chem. Phys., 2021,23, 22241-22245

Low-frequency vibrational spectroscopy: a new tool for revealing crystalline magnetic structures in iron phosphate crystals

Z. Song, X. Liu, A. Ochani, S. Shen, Q. Li, Y. Sun and M. T. Ruggiero, Phys. Chem. Chem. Phys., 2021, 23, 22241 DOI: 10.1039/D1CP03424C

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