posted on 2021-09-24, 14:36authored byFrançois Aguillon, Dana Codruta Marinica, Andrei G. Borisov
The
exceptional electronic and optical properties of graphene are
harmed by the unavoidable imperfections of the lattice resulting from
mechanical or electronic interaction with the environment. Using a
time-dependent approach, we theoretically address the sensitivity
of the plasmon modes of graphene nanoflakes to the presence of point
vacancy defects and substitutional impurities. We find that the fractions
of the defects as low as 10–3 from the total number
of carbon atoms in an ideal nanoflake lead to strong broadening of
the plasmon resonance in the optical absorption spectrum. In addition
to this effect resulting from the elastic and inelastic processes
associated with defect-induced scattering and modification of the
electronic structure of graphene, we also observe and explain the
vacancy and impurity-induced shifts of the plasmon energy. Our work
extends the in depth theoretical studies of the optical properties
of graphene nanomaterials toward practical situations of nonideal
2D lattices.