Related papers: Symmetry-directed electronic and optical propertie…
We study the electronic structure of quasicrystals composed of incommensurate stacks of atomic layers. We consider two systems: a pair of square lattices with a relative twist angle of $\theta=45^\circ$ and a pair of hexagonal lattices with…
In this review, we present recent works on materials whose common point is the presence of electronic bands of very low dispersion, called "flat bands", which are due to specific atomic order effects without electron interactions. These…
Two-dimensional moir\'e materials offer a powerful, twist-tunable platform for engineering electronic bands and correlations, though most studies to date have focused on small twist angles where flat bands arise from symmetry-pinned…
We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with…
Electronic and topological properties of materials are derived from the interplay between crystalline symmetry and dimensionality. Simultaneously introducing 'forbidden' symmetries via quasiperiodic ordering with low-dimensionality into a…
The recently realized bilayer graphene system with a twist angle of $30^\circ$ offers a new type of quasicrystal which unites the dodecagonal quasicrystalline nature and graphene's relativistic properties. Here, we introduce a concise…
Experimental studies on moir\'e materials have predominantly focused on twisted hexagonal lattice with low-energy states near the $\Gamma$- or K-points, where the electronic dispersion is typically isotropic. In contrast, we introduce a…
Most electronic properties of metals are determined solely by the low-energy states around the Fermi level, and for topological metals/semimetals, these low-energy states become distinct because of their unusual energy dispersion and…
Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…
Built on a realistic multiband tight-binding model, mirror symmetry is used to map a calcium-intercalated bilayer graphene Hamiltonian into two independent single layer graphene-like Hamiltonians with renormalized hopping. The…
The electronic properties of $\pi$-conjugated two-dimensional (2D) polymers near the Fermi level are determined by structural topology and chemical composition. Thus, tight-binding (TB) calculations of the corresponding fundamental network…
Dodecagonal bilayer graphene quasicrystal has 12-fold rotational order but lacks translational symmetry which prevents the application of band theory. In this paper, we study the electronic and optical properties of graphene quasicrystal…
Motivated by recent experiments demonstrating the creation of atomically sharp interfaces between hexagonal sapphire and cubic SrTiO$_3$ with finite twist, we here develop and study a general electronic band theory for this novel class of…
Periodic configurations have dominated the design of phononic and elastic-acoustic metamaterial structures for the past decades. Unlike periodic crystals, quasicrystals lack translational symmetry but are unrestricted in rotational…
Stacking two atomic crystals with a twist between their crystal axes produces moir\'e potentials that modify the electronic properties. Here we show that double moir\'e potentials generated by superposing three atomic crystals create a new…
Transition metal dichalcogenides (TMDs) combine interesting optical and spintronic properties in an atomically-thin material, where the light polarization can be used to control the spin and valley degrees-of-freedom for the development of…
Metal-organic hybrid structures have been demonstrated a versatile platform to study primary aspects of light-matter interaction by means of emerging states comprising excitonic and plasmonic properties. Here we are studying the wave-vector…
First-principle calculations with different exchange-correlation functionals, including LDA, PBE and vdW-DF functional in form of optB88-vdW, have been performed to investigate the electronic and elastic properties of two dimensional…
We show that it is possible to have a topological phase in two-dimensional quasicrystals without any magnetic field applied, but instead introducing an artificial gauge field via dynamic modulation. This topological quasicrystal exhibits…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…