Disentangling small-polaron and Anderson-localization effects in ceria: Combined experimental and first-principles study

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dc.contributor.authorKolodiazhnyi, Taras
dc.contributor.authorTipsawat, Pannawit
dc.contributor.authorCharoonsuk, Thitirat
dc.contributor.authorKongnok, Thanundon
dc.contributor.authorJungthawan, Sirichok
dc.contributor.authorSuthirakun, Suwit
dc.contributor.authorVittayakorn, Naratip
dc.contributor.authorMaensiri, Santi
dc.date.accessioned2026-08-06T10:24:00Z
dc.date.available2026-08-06T10:24:00Z
dc.date.issued2019-01-23
dc.description.abstractBy comparison of the electrical conductivity of ceria doped with penta- and hexavalent ions, we separate the total electron localization energy into the two contributions originating from the small polaron effects and the Coulomb interaction with the donor ions. The upper bound of the itinerant small polaron hopping energy is estimated at 66±20 meV. The binding energy of the Ce3+-M5+/6+ defect complex increases from 121 meV for M=Nb5+/Ta5+ to 243 meV for M=W6+/U6+. The first-principles simulations are in qualitative agreement with the experimental findings. At low temperatures the f electrons bound to the donor defects show dielectric relaxation with the lowest activation energy of 2.7 and 17 meV for Nb(Ta)- and W-doped ceria, respectively. Remarkably, these energies are significantly smaller than the hopping energy of the itinerant small polarons. While both the electron-lattice and the electron-defect interactions cause the f electron localization in real-case ceria, the latter effects seem to be the dominant.
dc.identifier.citationPhysical Review B, 99(3), 2019
dc.identifier.doi10.1103/PhysRevB.99.035144
dc.identifier.issn24699950
dc.identifier.other2-s2.0-85060844166
dc.identifier.urihttps://dspace.kmitl.ac.th/handle/123456789/9708
dc.sourcePhysical Review B
dc.titleDisentangling small-polaron and Anderson-localization effects in ceria: Combined experimental and first-principles study
dc.typeArticle

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