Neutron scattering studies on ionic diffusion behaviors of superionic α-Cu2−δ Se

dc.contributor.authorLi, Len_AU
dc.contributor.authorLiu, Hen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorYu, DHen_AU
dc.contributor.authorDanilkin, SAen_AU
dc.contributor.authorWang, Men_AU
dc.date.accessioned2024-08-22T02:53:43Zen_AU
dc.date.available2024-08-22T02:53:43Zen_AU
dc.date.issued2022-10-10en_AU
dc.date.statistics2024-06-06en_AU
dc.description.abstractWe present studies on crystal structure and ionic diffusion behaviors of superionic Cu2−δ Se (δ = 0, 0.04, and 0.2) by utilizing neutron powder diffraction and quasi-elastic neutron scattering. In the superionic phase, the structural model with Cu ions occupying the Wyckoff sites of 8c and 32f provides the best description of the structure. As the content of Cu increasing in Cu2−δ Se, the Cu occupancy increases on the 32f site but decreases on the 8c site. Fitting to the quasi-elastic neutron scattering spectra reveals two diffusion modes: the localized diffusion between the 8c and 32f sites and the long-range diffusion between the adjacent 8c sites using the 32f site as a bypass. Between 430 and 650 K, we measured that the compound with more Cu content exhibits a larger long-range diffusion coefficient. Temperature in this range does not affect the long-range diffusion process obviously. Our results suggest the two diffusion modes cooperative and, thus, provide a microscopic understanding of the ionic diffusion of the Cu ions in superionic Cu2−δ Se. © 2024 AIP Publishing LLCen_AU
dc.description.sponsorshipWe thank ANSTO for providing access to Echidna and Pelican (Proposal ID P6942) at the Australian Center for Neutron Scattering. Work at Sun Yat-Sen University was supported by the National Natural Science Foundation of China (Grant Nos. 12174454 and 11904414), the Guangdong Basic and Applied Basic Research Foundation (No. 2021B1515120015), and the National Key Research and Development Program of China (Grant No. 2019YFA0705702).en_AU
dc.identifier.articlenumber151901en_AU
dc.identifier.citationLi, L., Liu, H., Avdeev, M., Yu, D., Danilkin, S., & Wang, M. (2022). Neutron scattering studies on ionic diffusion behaviors of superionic α-Cu2−δ Se. Applied Physics Letters, 121(15), 151901. doi:10.1063/5.0107238en_AU
dc.identifier.issn0003-6951en_AU
dc.identifier.issn1077-3118en_AU
dc.identifier.issue15en_AU
dc.identifier.journaltitleApplied Physics Lettersen_AU
dc.identifier.urihttps://doi.org/10.1063/5.0107238en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15660en_AU
dc.identifier.volume121en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherAIP Publishingen_AU
dc.subjectNeutronsen_AU
dc.subjectSeleniumen_AU
dc.subjectCopperen_AU
dc.subjectCrystal structureen_AU
dc.subjectTemperature rangeen_AU
dc.subjectScatteringen_AU
dc.subjectDiffractionen_AU
dc.subjectDiffusionen_AU
dc.subjectThermoelectric materialsen_AU
dc.subjectSpectraen_AU
dc.titleNeutron scattering studies on ionic diffusion behaviors of superionic α-Cu2−δ Seen_AU
dc.typeJournal Articleen_AU
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