Surface reconstruction with a fractional hole: (5×5)R26.6° LaAlO3 (001)

C. H. Lanier; J. M. Rondinelli; B. Deng; R. Kilaas; K. R. Poeppelmeier; L. D. Marks

doi:10.1103/PhysRevLett.98.086102

Surface reconstruction with a fractional hole: (5×5)R26.6° LaAlO3 (001)

C. H. Lanier, J. M. Rondinelli, B. Deng, R. Kilaas, K. R. Poeppelmeier, L. D. Marks^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

45 Scopus citations

Abstract

The structure of the (5×5)R26.6° reconstruction of LaAlO3 (001) has been determined using transmission electron diffraction combined with direct methods. It has a lanthanum oxide termination with one lanthanum vacancy per surface unit cell. Density functional calculations indicate that charge compensation occurs by a fractional number of highly delocalized holes, and that the surface contains no oxygen vacancies and the holes are not filled with hydrogen. The reconstruction can be understood in terms of expulsion of the more electropositive cation from the surface and increased covalency.

Original language	English (US)
Article number	086102
Journal	Physical review letters
Volume	98
Issue number	8
DOIs	https://doi.org/10.1103/PhysRevLett.98.086102
State	Published - Feb 21 2007

ASJC Scopus subject areas

General Physics and Astronomy

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abstract = "The structure of the (5×5)R26.6° reconstruction of LaAlO3 (001) has been determined using transmission electron diffraction combined with direct methods. It has a lanthanum oxide termination with one lanthanum vacancy per surface unit cell. Density functional calculations indicate that charge compensation occurs by a fractional number of highly delocalized holes, and that the surface contains no oxygen vacancies and the holes are not filled with hydrogen. The reconstruction can be understood in terms of expulsion of the more electropositive cation from the surface and increased covalency.",

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AU - Poeppelmeier, K. R.

AU - Marks, L. D.

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AB - The structure of the (5×5)R26.6° reconstruction of LaAlO3 (001) has been determined using transmission electron diffraction combined with direct methods. It has a lanthanum oxide termination with one lanthanum vacancy per surface unit cell. Density functional calculations indicate that charge compensation occurs by a fractional number of highly delocalized holes, and that the surface contains no oxygen vacancies and the holes are not filled with hydrogen. The reconstruction can be understood in terms of expulsion of the more electropositive cation from the surface and increased covalency.

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Surface reconstruction with a fractional hole: (5×5)R26.6° LaAlO3 (001)

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