Title
Electronic properties of hydrogenated silicene and germaneneElectronic properties of hydrogenated silicene and germanene
Author
Faculty/Department
Faculty of Sciences. Chemistry
Research group
Plasma, laser ablation and surface modeling - Antwerp (PLASMANT)
Publication type
article
Publication
New York, N.Y. :American Institute of Physics,
Subject
Physics
Source (journal)
Applied physics letters / American Institute of Physics. - New York, N.Y., 1962, currens
Volume/pages
98(2011):22, 3 p.
ISSN
0003-6951
1077-3118
Article Reference
223107
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The electronic properties of hydrogenated silicene and germanene, so called silicane and germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations are found to be stable and energetically degenerate. Upon the adsorption of hydrogen, an energy gap opens in silicene and germanene. Their energy gaps are next computed using the HSE hybrid functional as well as the G(0)W(0) many-body perturbation method. These materials are found to be wide band-gap semiconductors, the type of gap in silicane (direct or indirect) depending on its atomic configuration. Germanane is predicted to be a direct-gap material, independent of its atomic configuration, with an average energy gap of about 3.2 eV, this material thus being potentially interesting for optoelectronic applications in the blue/violet spectral range. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3595682]
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