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  Hydrogen-induced metallization on the ZnO(0001) surface

Silva, W. S., Stiehler, C., Soares, E. A., Bittar, E. M., Cezar, J. C., Kuhlenbeck, H., et al. (2018). Hydrogen-induced metallization on the ZnO(0001) surface. Physical Review B, 98(15): 155416. doi:10.1103/PhysRevB.98.155416.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-706C-7 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-706F-4
Genre: Journal Article

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PhysRevB.98.155416.pdf (Publisher version), 2MB
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 Creators:
Silva, W. S.1, Author
Stiehler, Christian2, Author              
Soares, E. A.3, Author
Bittar, E. M.4, Author
Cezar, J. C.1, Author
Kuhlenbeck, Helmut2, Author              
Freund, Hans-Joachim2, Author              
Cisternas, E.5, Author
Stavale, F.4, Author
Affiliations:
1Brazilian Synchrotron Light Laboratory (LNLS), National Center for Research in Energy and Materials (CNPEM), Campinas, Brazil, ou_persistent22              
2Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              
3Departmento de Física, ICEx, Universidade Federal de Minas Gerais, CP702 Belo Horizonte, MG, Brazil, ou_persistent22              
4Centro Brasileiro de Pesquisas Físicas, 22290-180 Rio de Janeiro, RJ, Brazil, ou_persistent22              
5Departamento de Ciencias Físicas, Universidad de La Frontera, Casilla 54-D, Temuco, Chile, ou_persistent22              

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 Abstract: The formation of hydrogen overlayers on the Zn-terminated ZnO(0001) surface has been reexamined by angle-resolved photoemission spectroscopy (ARPES). While low-energy electron diffraction patterns display the same (1 × 1) symmetry for different surface preparations, the electronic structure feature close to the Fermi level shows the formation of electron pockets, compatible with hydrogen-induced metallic states. Using ARPES and density functional theory (DFT) calculations, we show that hydrogen adspecies can also lead to metallization of this zinc-oxide surface in a similar manner as observed previously on ZnO(10̅10) and O-terminated ZnO(000̅1). Importantly, our DFT calculations indicate that these electron pockets are formed by sp hybridized states and therefore the angular distribution of the emitted photoelectron is significantly suppressed at the normal emission.

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Language(s): eng - English
 Dates: 2018-09-202017-12-292018-10-152018-10
 Publication Status: Published in print
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevB.98.155416
 Degree: -

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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: 8 Volume / Issue: 98 (15) Sequence Number: 155416 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008