In this work we theoretically investigate the adsorption of silicene-based layers onto the Ag(111) surface, focusing onto the (2√3×2√3)R30° phase for which we consider different H coverages, mainly half and full coverage (so-called silicane). Within the Density Functional Theory framework we derive the structural and electronic properties in the ground state, then we construct the optical response within the independent particle (IP) approximation. We therefore address the features observed both in the absorption and reflectance spectra, showing their tight connection with the electronic properties.
Ugolotti, A., Brivio, G., Gratesi, G. (2018). Hydrogenated Silicene on Ag(111): a theoretical investigation through optical excitations. Intervento presentato a: ETSF Workshop on Electronic Excitations (Interdisciplinary Views on Quantum Many-Body Theory), Milan, Italy.
Hydrogenated Silicene on Ag(111): a theoretical investigation through optical excitations
Ugolotti, A
;Brivio, GP;
2018
Abstract
In this work we theoretically investigate the adsorption of silicene-based layers onto the Ag(111) surface, focusing onto the (2√3×2√3)R30° phase for which we consider different H coverages, mainly half and full coverage (so-called silicane). Within the Density Functional Theory framework we derive the structural and electronic properties in the ground state, then we construct the optical response within the independent particle (IP) approximation. We therefore address the features observed both in the absorption and reflectance spectra, showing their tight connection with the electronic properties.
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