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

Autor:	Redondo J; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00 Prague, Czech Republic.; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria.; Institute of Physics, Czech Academy of Sciences, Cukrovarnická 10, 162 00 Prague 6, Czech Republic., Reticcioli M; University of Vienna, Faculty of Physics, Center for Computational Materials Science, Vienna, Austria., Gabriel V; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00 Prague, Czech Republic., Wrana D; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00 Prague, Czech Republic.; Marian Smoluchowski Institute of Physics, Jagiellonian University, 30-348 Krakow, Poland., Ellinger F; University of Vienna, Faculty of Physics, Center for Computational Materials Science, Vienna, Austria., Riva M; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Franceschi G; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Rheinfrank E; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Sokolović I; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Jakub Z; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Kraushofer F; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Alexander A; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00 Prague, Czech Republic., Belas E; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00 Prague, Czech Republic., Patera LL; Institute of Experimental and Applied Physics, University of Regensburg, 93040 Regensburg, Germany.; Institute of Physical Chemistry, University of Innsbruck, 6020 Innsbruck, Austria., Repp J; Institute of Experimental and Applied Physics, University of Regensburg, 93040 Regensburg, Germany., Schmid M; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Diebold U; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Parkinson GS; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria., Franchini C; University of Vienna, Faculty of Physics, Center for Computational Materials Science, Vienna, Austria.; Dipartimento di Fisica e Astronomia, Università di Bologna, 40127 Bologna, Italy., Kocan P; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00 Prague, Czech Republic., Setvin M; Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University, 180 00 Prague, Czech Republic.; Institute of Applied Physics, TU Wien, 1040 Vienna, Austria.
Jazyk:	angličtina
Zdroj:	Science advances [Sci Adv] 2024 Nov; Vol. 10 (44), pp. eadp7833. Date of Electronic Publication: 2024 Nov 01.
DOI:	10.1126/sciadv.adp7833
Abstrakt:	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 Fe 2 O 3 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.
Databáze:	MEDLINE
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