Vacancy clusters at domain boundaries and band bending at the SrTiO3(110) surface

Autor(en)

Zhiming Wang, Xianfeng Hao, Stefan Gerhold, Michael Schmid, Cesare Franchini, Ulrike Diebold

Abstrakt

Antiphase domain boundaries (APDBs) in the (n×1)(n=4,5) reconstructions of the SrTiO3(110) surface were studied with scanning tunneling microscopy, x-ray photoemission spectroscopy, and density functional theory (DFT) calculations. Two types of APDBs form on each reconstruction; they consist of TixOy vacancy clusters with a specific stoichiometry. The presence of these clusters is controlled by the oxygen pressure during annealing. The structural models of the vacancy clusters are resolved with DFT, which also shows that their relative stability depends on the chemical potential of oxygen. The surface band bending can be tuned by controlling the vacancy clusters at the domain boundaries.

Organisation(en)

Computergestützte Materialphysik

Externe Organisation(en)

Technische Universität Wien

Journal

Physical Review B

Band

90

Anzahl der Seiten

5

ISSN

1098-0121

DOI

https://doi.org/10.1103/PhysRevB.90.035436

Publikationsdatum

07-2014

Peer-reviewed

Ja

ÖFOS 2012

103009 Festkörperphysik, 103015 Kondensierte Materie, 103025 Quantenmechanik, 103036 Theoretische Physik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/d6cb75a8-29a9-4404-988b-e0a05df56f52