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Redondo, Jesus ; Reticcioli, Michele ; Gabriel, Vit ; Wrana, Dominik ; Ellinger, Florian ; Riva, Michele ; Franceschi, Giada ; Rheinfrank, Erik ; Sokolović, Igor ; Jakub, Zdenek ; Kraushofer, Florian ; Alexander, Aji ; Belas, Eduard ; Patera, Laerte L. ; Repp, Jascha ; Schmid, Michael ; Diebold, Ulrike ; Parkinson, Gareth S. ; Franchini, Cesare ; Kocan, Pavel ; Setvin, Martin

Real-space investigation of polarons in hematite Fe 2 O 3

Redondo, Jesus, Reticcioli, Michele, Gabriel, Vit, Wrana, Dominik, Ellinger, Florian, Riva, Michele, Franceschi, Giada, Rheinfrank, Erik, Sokolović, Igor, Jakub, Zdenek, Kraushofer, Florian, Alexander, Aji, Belas, Eduard, Patera, Laerte L. , Repp, Jascha , Schmid, Michael, Diebold, Ulrike, Parkinson, Gareth S., Franchini, Cesare, Kocan, Pavel and Setvin, Martin (2024) Real-space investigation of polarons in hematite Fe 2 O 3. Science Advances 10 (44), eadp7833.

Date of publication of this fulltext: 06 Nov 2024 11:36
Article
DOI to cite this document: 10.5283/epub.59495


Abstract

In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behavior. The resulting polarons play a central role in many materials properties including electrical transport, interaction with light, surface reactivity, and magnetoresistance, and polarons are typically investigated indirectly through these macroscopic characteristics. Here, ...

In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behavior. The resulting polarons play a central role in many materials properties including electrical transport, interaction with light, surface reactivity, and magnetoresistance, and polarons are typically investigated indirectly through these macroscopic characteristics. Here, noncontact atomic force microscopy (nc-AFM) is used to directly image polarons in Fe2O3 at the single quasiparticle limit. A combination of Kelvin probe force microscopy (KPFM) and kinetic Monte Carlo (KMC) simulations shows that the mobility of electron polarons can be markedly increased by Ti doping. Density functional theory (DFT) calculations indicate that a transition from polaronic to metastable free-carrier states can play a key role in migration of electron polarons. In contrast, hole polarons are significantly less mobile, and their hopping is hampered further by trapping centers.



Involved Institutions


Details

Item typeArticle
Journal or Publication TitleScience Advances
Publisher:Science
Volume:10
Number of Issue or Book Chapter:44
Page Range:eadp7833
Date1 November 2024
InstitutionsPhysics > Institute of Experimental and Applied Physics > Group Jascha Repp
Identification Number
ValueType
10.1126/sciadv.adp7833DOI
Dewey Decimal Classification500 Science > 530 Physics
500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgPartially
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-594954
Item ID59495

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