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Band structure of hydrogenated silicene on Ag(111): Evidence for half-silicane
Linköping University, Department of Physics, Chemistry and Biology, Surface and Semiconductor Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Surface and Semiconductor Physics. Linköping University, Faculty of Science & Engineering.
2016 (English)In: PHYSICAL REVIEW B, ISSN 2469-9950, Vol. 93, no 8, 081406- p.Article in journal (Refereed) Published
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Abstract [en]

In the case of graphene, hydrogenation removes the conductivity due to the bands forming the Dirac cone by opening up a band gap. This type of chemical functionalization is of the utmost importance for electronic applications. As predicted by theoretical studies, a similar change in the band structure is expected for silicene, the closest analog to graphene. We here report a study of the atomic and electronic structures of hydrogenated silicene with hydrogen on one side, the so-called half-silicane. The ("2 root 3 x 2 root 3") phase of silicene on Ag(111) was used in this Rapid Communication since it can be formed homogeneously across the entire surface of the Ag substrate. Low-energy electron diffraction and scanning tunneling microscopy data clearly show that hydrogenation changes the structure of silicene on Ag(111) resulting in a (1 x 1) periodicity with respect to the silicene lattice. The hydrogenated silicene also exhibits a quasiregular ("2 root 3 x 2 root 3")-like arrangement of vacancies. Angle-resolved photoelectron spectroscopy revealed two dispersive bands which can be unambiguously assigned to half-silicane. The common top of these bands is located at similar to 0.9 eV below the Fermi level. We find that the experimental bands are closely reproduced by the theoretical band structure of free-standing silicene with H adsorbed on the upper hexagonal sublattice.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2016. Vol. 93, no 8, 081406- p.
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Physical Sciences
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URN: urn:nbn:se:liu:diva-125672DOI: 10.1103/PhysRevB.93.081406ISI: 000369729000001OAI: oai:DiVA.org:liu-125672DiVA: diva2:908482
Note

Funding Agencies|Swedish Research Council (VR) [621-2010-3746, 621-2014-4764, 621-2011-4426]; Linkoping Linnaeus Initiative for Novel Functional Materials - Swedish Research Council (VR) [2008-6582]; Swedish National Infrastructure for Computing (SNIC)

Available from: 2016-03-02 Created: 2016-02-29 Last updated: 2016-03-29

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Wang, WeiminOlovsson, WeineUhrberg, Roger
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