2×2R45∘ reconstruction and electron doping at the SrO-terminated SrTiO3(001) surface

2×2R45∘ reconstruction and electron doping at the SrO-terminated SrTiO3(001) surface The atomic and electronic structure of SrTiO3(001) surfaces is investigated by low-energy electron diffraction, Auger electron spectroscopy, atomic force microscopy, ultraviolet photoemission spectroscopy (UPS), and theoretical calculations. While the surface is TiO2-terminated after annealing at 1225∘C for 72 h, an SrO-terminated surface is realized along with a 2×2R45∘ reconstruction after annealing at 1275∘C for 72 h. The stability of the surface structure revealing a 2×2R45∘ is evaluated by first-principles calculations, which shows that the most stable surface is a periodically SrO-deficient surface. Furthermore, UPS measured on the SrO-terminated 2×2R45∘ surface shows an upward band bending as compared to the TiO2-terminated surface. Neither in-gap nor metallic states are formed by doping electrons to the 2×2R45∘ surface in contrast to the TiO2-terminated surface. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

2×2R45∘ reconstruction and electron doping at the SrO-terminated SrTiO3(001) surface

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2×2R45∘ reconstruction and electron doping at the SrO-terminated SrTiO3(001) surface

Abstract

The atomic and electronic structure of SrTiO3(001) surfaces is investigated by low-energy electron diffraction, Auger electron spectroscopy, atomic force microscopy, ultraviolet photoemission spectroscopy (UPS), and theoretical calculations. While the surface is TiO2-terminated after annealing at 1225∘C for 72 h, an SrO-terminated surface is realized along with a 2×2R45∘ reconstruction after annealing at 1275∘C for 72 h. The stability of the surface structure revealing a 2×2R45∘ is evaluated by first-principles calculations, which shows that the most stable surface is a periodically SrO-deficient surface. Furthermore, UPS measured on the SrO-terminated 2×2R45∘ surface shows an upward band bending as compared to the TiO2-terminated surface. Neither in-gap nor metallic states are formed by doping electrons to the 2×2R45∘ surface in contrast to the TiO2-terminated surface.
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Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1098-0121
eISSN
1550-235X
D.O.I.
10.1103/PhysRevB.96.085303
Publisher site
See Article on Publisher Site

Abstract

The atomic and electronic structure of SrTiO3(001) surfaces is investigated by low-energy electron diffraction, Auger electron spectroscopy, atomic force microscopy, ultraviolet photoemission spectroscopy (UPS), and theoretical calculations. While the surface is TiO2-terminated after annealing at 1225∘C for 72 h, an SrO-terminated surface is realized along with a 2×2R45∘ reconstruction after annealing at 1275∘C for 72 h. The stability of the surface structure revealing a 2×2R45∘ is evaluated by first-principles calculations, which shows that the most stable surface is a periodically SrO-deficient surface. Furthermore, UPS measured on the SrO-terminated 2×2R45∘ surface shows an upward band bending as compared to the TiO2-terminated surface. Neither in-gap nor metallic states are formed by doping electrons to the 2×2R45∘ surface in contrast to the TiO2-terminated surface.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Aug 8, 2017

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