Related papers: First-principles-based method for electron localiz…
Monolayer hexagonal boron nitride (hBN) has recently become the focus of intense research as a material to host quantum emitters. Although it is well known that such emission is associated with point defects, so far no conclusive…
We present theoretical studies of morphology, stability, and electronic structure of monolayer hexagonal CBN alloys with rich content of h-BN and carbon concentration not exceeding 50 %. Our studies are based on the bond order type of the…
We measure electron localization in different materials by means of a ``localization tensor'', based on Berry phases and related quantities. We analyze its properties, and we actually compute such tensor from first principles for several…
We study electron localization in disordered quantum systems, focusing on both individual eigenstates and thermal states. We employ complex polarization as a numerical indicator to characterize the system's localization length. Furthermore,…
Here, by making use of medium and high resolution autocorrected off-axis electron holography, we directly probe the electrostatic potential as well as in-plane and out-of-plane charge delocalization at edges and steps in multilayer…
The emerging ferroelectric properties of two-dimensional (2D) heterostructures are at the forefront of science and prospective technology. In moir\'e bilayers, twisting or heterostructuring causes local atomic reconstruction, which even at…
Hexagonal boron nitride (hBN) is a large band gap layered crystal, frequently incorporated in van der Waals (vdW) heterostructures as an insulating or tunnel barrier. Localised states with energies within its band gap can emit visible…
We theoretically study physical properties of the most promising color center candidates for the recently observed single-photon emissions in hexagonal boron nitride (h-BN) monolayers. Through our group theory analysis combined with density…
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…
Boron vacancies (VB${^-}$) in hexagonal boron-nitride (hBN) have sparked great interest in recent years, due to their electronic spin properties. Since hBN can be readily integrated into devices where it interfaces a huge variety of other…
The negatively charged boron vacancy ($\mathrm{V}_{\mathrm{B}}^-$) in hexagonal boron nitride (hBN) has garnered significant attention among defects in two-dimensional materials. This owes, in part, to its deterministic generation,…
Anderson localization of classical waves in disordered media is a fundamental physical phenomenon that has attracted attention in the past three decades. More recently, localization of polar excitations in nanostructured metal-dielectric…
We study defect energy levels in hexagonal boron-nitride with varying number of layers using a fragment many-body $GW$ formalism, taking as examples the paradigmatic carbon-dimer and $C_BV_N$ defects. We show that a single layer can be…
The Wigner localization is an electron phase at low densities when the electrons are sharply localized around equilibrium positions. The simulation of the Wigner localization phenomenon requires careful treatment of the many-body…
In this work, we present an empirical force field for hexagonal boron nitride (hBN) monolayers, derived via a bottom-up strategy from first principles calculations. We aim to deliver a simple analytical force field for boron nitride which…
A two-dimensional electron gas in a high magnetic field displays macroscopically degenerate Landau levels, which can be split into Hofstadter subbands by means of a weak periodic potential. By carefully engineering such a potential, one can…
The recent discovery of single-photon emitting defects hosted by the two-dimensional wide band gap semiconductor hexagonal boron nitride (hBN) has inspired a great number of experiments. Key characteristics of these quantum emitters are…
Electromagnetic design relies on an accurate understanding of light-matter interactions, yet often overlooks electronic length scales. Under extreme confinement, this omission can lead to nonclassical effects, such as nonlocal response.…
Recently, it was predicted that if all one-electron states in a non-interacting disordered system are localized, the interaction between electrons in the absence of coupling to phonons leads to a finite-temperature metal-insulator…
Anderson localization of light is a fundamental emergent phenomenon in disordered systems. In arrays of coupled waveguides, it suppresses transport and causes photons to remain localized near the excitation site as coupling disorder…