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  Electronic and electrostatic properties of polar oxide nanostructures: MgO(111) islands on Au(111)

Nilius, N., Benedetti, S., Pan, Y., Myrach, P., Noguera, C., Giordano, L., et al. (2012). Electronic and electrostatic properties of polar oxide nanostructures: MgO(111) islands on Au(111). Physical Review B, 86(20): 205410. doi:10.1103/PhysRevB.86.205410.

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PhysRevB.86.205410.pdf (Publisher version), 3MB
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PhysRevB.86.205410.pdf
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 Creators:
Nilius, Niklas1, Author           
Benedetti, Stefania2, Author
Pan, Yi1, Author           
Myrach, Philipp1, Author           
Noguera, Claudine3, Author
Giordano, Livia4, Author
Goniakowski, Jacek3, Author
Affiliations:
1Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              
2Centro S3, Instituto Nanoscienze-CNR, via Campi 213/a, 41125 Modena, Italy, ou_persistent22              
3CNRS and Université Pierre et Marie Curie-Paris 6, INSP, UMR7588, 4 place Jussieu, 75252 Paris, Cedex 05, France, ou_persistent22              
4Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via Cozzi 53, 20125 Milano, Italy, ou_persistent22              

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 Abstract: Using scanning tunneling microscopy and density functional theory (DFT), we have analyzed the local electronic properties of (111)-oriented MgO nanoislands on Au(111). Conductance and barrier-height measurements revealed substantial modulations in the electronic structure and electrostatic potential across the islands, with particularly high and low values for band onsets and surface potential occurring at the perimeter and in the island center, respectively. DFT calculations showed that MgO(111) monolayer structures exhibit a strongly reduced distance between the Mgδ+ and Oδ− plane as compared to bulk MgO, which in turn suppresses the polar character of the film. The spatial modulations in the electronic properties originate from gradual changes of the interface registry when approaching the island edges, driven by a small mismatch between the Au(111) and MgO(111) lattices. At the periphery of the islands, additional effects such as band shifts and low-lying electronic states are observed, which arise from the interplay of residual edge polarity and unsaturated chemical bonds. We expect that the peculiar edge properties of MgO(111) islands are decisive for the chemical behavior of the nanostructures.

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Language(s): eng - English
 Dates: 2012-08-072012-10-152012-11-062012-11-06
 Publication Status: Issued
 Pages: 8
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevB.86.205410
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Title: Physical Review B
Source Genre: Journal
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Publ. Info: Woodbury, NY : Published by the American Physical Society through the American Institute of Physics
Pages: - Volume / Issue: 86 (20) Sequence Number: 205410 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008