: The search for connections between electronic and structural features is a key factor in the synthesis of artificial materials for on-demand applications, with graphene and analogous elemental semimetals playing a distinguished role as building blocks of photonic and plasmonic systems. In particular, a diversity of arrangements and electronic-state dispersions is offered by currently synthesized two-dimensional allotropes of silicon and germanium, respectively known as silicene and germanene. These monolayers make the ideal playground to understand how their collective and single-particle electronic states, excited by electron or light beams, may be controlled by geometry rather than doping or gating. Here, we provide such a study using time-dependent density-functional theory, in the random-phase approximation, to identify the structural dependent properties of charge-density plasmon oscillations and optical absorption in flat to buckled silicene and germanene lattices. We further single out flat germanene as an unprecedented two-dimensional conductor, hosting Dirac cone fermions in parallel with metal-like charge carriers, which contribute to strong intraband plasmon modes and one-electron excitations in the far-infrared limit. Finally, we show how this atypical scenario can be tuned by external stress or strain.

Dielectric screening versus geometry deformation in two-dimensional allotropes of silicon and germanium

Sindona, Antonello
;
Vacacela Gomez, Cristian;Pisarra, Michele
2022-01-01

Abstract

: The search for connections between electronic and structural features is a key factor in the synthesis of artificial materials for on-demand applications, with graphene and analogous elemental semimetals playing a distinguished role as building blocks of photonic and plasmonic systems. In particular, a diversity of arrangements and electronic-state dispersions is offered by currently synthesized two-dimensional allotropes of silicon and germanium, respectively known as silicene and germanene. These monolayers make the ideal playground to understand how their collective and single-particle electronic states, excited by electron or light beams, may be controlled by geometry rather than doping or gating. Here, we provide such a study using time-dependent density-functional theory, in the random-phase approximation, to identify the structural dependent properties of charge-density plasmon oscillations and optical absorption in flat to buckled silicene and germanene lattices. We further single out flat germanene as an unprecedented two-dimensional conductor, hosting Dirac cone fermions in parallel with metal-like charge carriers, which contribute to strong intraband plasmon modes and one-electron excitations in the far-infrared limit. Finally, we show how this atypical scenario can be tuned by external stress or strain.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11770/341526
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