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Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

TitleHybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4
Publication TypeJournal Article
Year of Publication2017
AuthorsYiu, Y, Le, MD, Toft-Peterson, R, Ehlers, G, McQueeney, RJ, Vaknin, D
JournalPhysical Review B
Volume95
Pagination104409
Date Published02
Type of ArticleArticle
ISBN Number2469-9950
Accession NumberWOS:000396002000001
Keywordsdiffusion, lithium batteries, phase, phospho-olivines, physics
Abstract

al field and spin-orbit interactions. These excitations are further amplified by the highly distorted nature of the oxygen octahedron surrounding the iron atoms. Above T-N, magnetic fluctuations are observed up to at least 720 K, with an additional inelastic excitation around 4 meV, which we attribute to single-ion effects, as its intensity weakens slightly at 720 K compared to 100 K, which is consistent with the calculated cross sections using a single-ion model. Our theoretical analysis, using the MF-RPA model, provides both detailed spectra of the Fe d shell and estimates of the average ordered magnetic moment and TN. By applying the MF-RPA model to a number of existing spin-wave results from other LiMPO4 (M = Mn, Co, and Ni), we are able to obtain reasonable predictions for the moment sizes and transition temperatures.

DOI10.1103/PhysRevB.95.104409
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Alternate JournalPhys. Rev. B