Band structure and optical response of Kekul\'e-modulated $\alpha-\mathcal{T}_3$ model

TL;DR

This paper analyzes the electronic band structure and optical properties of a Kekulé-modulated $oldsymbol{ ext{alpha-} ext{T}_3}$ model, revealing new optical features and signatures of Kekulé periodicity in 2D materials.

Contribution

It provides analytical expressions for the band structure and identifies novel optical conductivity features due to Kekulé modulation in the $oldsymbol{ ext{alpha-} ext{T}_3}$ model.

Findings

Discovery of a double-cone Dirac spectrum with zone folding.

Identification of van Hove singularities in optical response.

Detection of an intervalley absorption window as Kekulé signature.

Abstract

We study the electronic band structure and optical response of a hybrid model, a $\alpha-\mathcal{T}_3$ model featuring a $\sqrt{3}\times\sqrt{3}$ Kekul\'e pattern modulation. Such a hybrid system may result from the depositing of adatoms in a hexagonal lattice, where the two sublattices are displaced in the perpendicular direction, like in germanene and silicene. We derive analytical expressions for the energy dispersion and the eigenfunctions using a tight-binding approximation of nearest-neighbor hopping electrons. The energy spectrum consists of a double-cone structure with Dirac points at zero momentum caused by Brillouin zone folding and a doubly degenerate flat band resulting from destructive quantum interference effects. Furthermore, we study the spectrum of intraband and interband transitions through the joint density of states, the optical conductivity, and the Drude spectral weight. We find new conductivity terms resulting from the opening of intervalley channels that are absent in the $\alpha-\mathcal{T}_3$ model and manifest themselves as van Hove singularities in the optical response. In particular, we identify an absorption window related to intervalley transport, which serves as a viable signature for detecting Kekul\'e periodicity in two-dimensional materials.