Titel
Polaron-Driven Surface Reconstructions
Autor*in
Martin Setvin
Institute of Applied Physics, Technische Universität Wien
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Abstract
Geometric and electronic surface reconstructions determine the physical and chemical properties of surfaces and, consequently, their functionality in applications. The reconstruction of a surface minimizes its surface free energy in otherwise thermodynamically unstable situations, typically caused by dangling bonds, lattice stress, or a divergent surface potential, and it is achieved by a cooperative modification of the atomic and electronic structure. Here, we combined first-principles calculations and surface techniques (scanning tunneling microscopy, non-contact atomic force microscopy, scanning tunneling spectroscopy) to report that the repulsion between negatively charged polaronic quasiparticles, formed by the interaction between excess electrons and the lattice phonon field, plays a key role in surface reconstructions. As a paradigmatic example, we explain the (1×1) to (1×2) transition in rutile TiO2(110).
Stichwort
Condensed Matter PhysicsPhysical ChemistrySemiconductor Physics
Objekt-Typ
Sprache
Englisch [eng]
Persistent identifier
Erschienen in
Titel
Physical Review X
Band
7
Ausgabe
3
Publication
American Physical Society (APS)
Erscheinungsdatum
2017
Zugänglichkeit
Rechte
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