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Title
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Hydrogen-induced rehybridization in epitaxial silicene
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Author
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Abstract
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| We report on the hydrogenation of (3 x 3)/(4 x 4) silicene epitaxially grown on Ag(111) studied by in situ Raman spectroscopy and state-of-the-art ab initio calculations. Our results demonstrate that hydrogenation of (3 x 3)/(4 x 4) silicene leads to the formation of two different atomic structures which exhibit distinct spectral vibrational modes. Raman selection rules clearly show that the Si atoms undergo a rehybridization in both cases from a mixed sp(2)-sp(3) to a dominating sp(3) state increasing the distance between the two silicene sublattices. This results in a softening of the in-plane and a stiffening of the out-of-plane phonon modes. Nevertheless, hydrogenated epitaxial silicene retains a two-dimensional nature and hence can be considered as epitaxial silicane. The level of hydrogenation can be determined by the intensity ratio of the Raman modes with different symmetries. |
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Language
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English
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Source (journal)
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Physical review B / American Physical Society. - New York, N.Y, 2016, currens
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Publication
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New York, N.Y
:
American Physical Society
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2017
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ISSN
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2469-9969
[online]
2469-9950
[print]
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DOI
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10.1103/PHYSREVB.96.235423
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Volume/pages
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96
:23
(2017)
, 6 p.
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Article Reference
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235423
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ISI
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000417921100004
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Medium
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E-only publicatie
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Full text (Publisher's DOI)
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