Related papers: Huge excitonic effects in layered hexagonal boron …
One-dimensional semiconductors are characterized by strongly bound excitons. Therefore, the Frenkel regime of excitons localized within a few unit cells is readily reached and traditional Wannier exciton models become inadequate. In the…
Folded regions are commonly encountered in a number of hexagonal boron nitride (h-BN) based bulk and nanostructured materials. Two types of structural modifications occur in folded h-BN layers: local curvature at the folded edges and…
Using the first-principles GW-Bethe-Salpeter equation method, here we study the excited-state properties, including quasi-particle band structures and optical spectra, of phosphorene, a two-dimensional (2D) atomic layer of black phosphorus.…
Absorption and emission of pristine-like semiconducting monolayers of BN, AlN, GaN, and InN are here systematically studied by ab-initio methods. We calculate the absorption spectra for in-plane and out-of-plane light polarization including…
Colour centres in hexagonal boron nitride (hBN) have emerged as intriguing contenders for integrated quantum photonics. In this work, we present detailed photophysical analysis of hBN single emitters emitting at the blue spectral range. The…
Monolayer C$_3$N is an emerging two-dimensional indirect band gap semiconductor with interesting mechanical, thermal, and electronic properties. In this work we present a description of C$_3$N electronic and dielectric properties, focusing…
We consider the pairing between conduction band electrons, and the valence band holes in the neutral bilayer-type structures. By employing the bilayer Hubbard model, we show the possibility of the inter-plane exciton formation in the system…
We present a first-principles calculation of the optical properties of armchair-edged graphene nanoribbons (AGNRs) with many-electron effects included. The reduced dimensionality of the AGNRs gives rise to an enhanced electron-hole binding…
Excitons, Coulomb-bound electron-hole pairs, are the fundamental excitations governing the optoelectronic properties of semiconductors. While optical signatures of excitons have been studied extensively, experimental access to the excitonic…
We calculate the electronic structure in quasiperiodic double-moir\'e systems of graphene sandwiched by hexagonal boron nitride, and identify the topological invariants of energy gaps. We find that the electronic spectrum contains a number…
Interactions among a collection of particles generate many-body effects in solids resulting in striking modifications of material properties. The heavy carrier mass that yields strong interactions and gate control of carrier density over a…
We show that carbon-doped hexagonal boron nitride (h-BN) has extraordinary properties with many possible applications. We demonstrate that the substitution-induced impurity states, associated with carbon atoms, and their interactions…
Accessing mid-infrared radiation is of great importance for a range of applications, including thermal imaging, sensing, and radiative cooling. Here, we study light interaction with hexagonal boron nitride nanocavities and reveal strong and…
Encapsulating graphene in hexagonal Boron Nitride has several advantages: the highest mobilities reported to date are achieved in this way, and precise nanostructuring of graphene becomes feasible through the protective hBN layers.…
Due to their low surface mass density, two-dimensional materials with a strong piezoelectric response are interesting for nanoelectromechanical systems with high force sensitivity. Unlike graphene, the two sublattices in a monolayer of…
Spontaneous orbital magnetism observed in twisted bilayer graphene (tBG) on nearly aligned hexagonal boron nitride (BN) substrate builds on top of the electronic structure resulting from combined G/G and G/BN double moire interfaces. Here…
In 2015, a new two dimensional (2D) carbon allotrope, called phagraphene, was theoretically proposed. Based on this structure, we propose here a new boron nitride structure called phaBN. It is composed by three types of rings: pentagons,…
The electronic band structure of CaSnN$_2$ in the wurtzite-based $Pna2_1$ structure is calculated using the Quasiparticle Self-consistent (QS)GW$^{BSE}$ method, including ladder diagrams in the screened Coulomb interaction W$^{BSE}$ and is…
FeSe is employed as reference material to elucidate the observed high Tc superconducting behaviour of the related layered iron pnictides. The structural and ensuing semimetallic band structural forms are here rather unusual, with the…
Frenkel excitons, the primary photoexcitations in organic semiconductors that are unequivocally responsible for the optical properties of this materials class, are predicted to form \emph{bound} exciton pairs, i.e., biexcitons. These are…