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

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

Research output: Contribution to journalArticle

41 Citations (Scopus)

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 languageEnglish
Article number086102
JournalPhysical Review Letters
Volume98
Issue number8
DOIs
Publication statusPublished - Feb 21 2007

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lanthanum oxides
expulsion
lanthanum
electron diffraction
cations
oxygen
hydrogen
cells

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Surface reconstruction with a fractional hole : (5×5)R26.6° LaAlO3 (001). / Lanier, C. H.; Rondinelli, J. M.; Deng, B.; Kilaas, R.; Poeppelmeier, Kenneth R; Marks, L. D.

In: Physical Review Letters, Vol. 98, No. 8, 086102, 21.02.2007.

Research output: Contribution to journalArticle

Lanier, C. H. ; Rondinelli, J. M. ; Deng, B. ; Kilaas, R. ; Poeppelmeier, Kenneth R ; Marks, L. D. / Surface reconstruction with a fractional hole : (5×5)R26.6° LaAlO3 (001). In: Physical Review Letters. 2007 ; Vol. 98, No. 8.
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