Publication
Title
Hydrogen-induced $sp^{2}-sp^{3}$ rehybridization in epitaxial silicene
Author
Abstract
 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.
Language
English
Source (journal)
Physical review B / American Physical Society. - New York, N.Y, 2016, currens
Publication
New York, N.Y : American Physical Society , 2017
ISSN
2469-9969 [online]
2469-9950 [print]
Volume/pages
96 :23 (2017) , 6 p.
Article Reference
235423
ISI
000417921100004
Medium
E-only publicatie
Full text (Publisher's DOI)
UAntwerpen
 Faculty/Department Research group Publication type Subject