Related papers: Gap modification of atomically thin boron nitride …
Energy bandgap largely determines the optical and electronic properties of a semiconductor. Variable bandgap therefore makes versatile functionality possible in a single material. In layered material black phosphorus, the bandgap can be…
Two-dimensional (2D) materials hosting color centers and spin defects are emerging as key platforms for quantum technologies. However, the impact of reduced dimensionality on the spin-lattice relaxation time ($T_1$) of embedded defect spins…
Many are the ways of engineering the band gap of nanoribbons including application of stress, electric field and functionalization of the edges. In this article, we investigate separately the effects of these methods on armchair graphene…
There has been growing interest in studying hexagonal boron nitride (hBN) for quantum technologies. Here, we investigate nitrogen isotope effects on boron vacancy (V$_\text{B}$) defects, one of the candidates for quantum sensors, in…
Boron phosphide has recently been identified as a potential high hole mobility transparent conducting material. This promise arises from its low hole effective masses. However, BP has a relatively small 2 eV indirect band gap which will…
The hybrid modes incorporating surface phonon polariton (SPhP) modes in boron nitride nanotubes (BNNTs) and surface plasmon polariton (SPP) modes in graphene monolayers are theoretically studied. The combination of the 1D BNNTs and 2D…
In this work we report for the first time, to the best of our concern, the tunable electronic properties of Beta-Borophene (BB) on the polar substrate (ZrO_2). We provide an analytical prescription for the calculation of ground state energy…
Hexagonal Boron Nitride substrates have been shown to dramatically improve the electric properties of graphene. Recently, it has been observed that when the two honeycomb crystals are close to perfect alignment, strong lattice distortions…
Boron nitride is a promising material for nanotechnology applications due to its two-dimensional graphene-like, insulating, and highly-resistant structure. Recently it has received a lot of attention as a substrate to grow and isolate…
Using both DFT as well as $G_0W_0$ calculations, we investigate static and dynamic effects on the phosphorene band gap upon deposition and encapsulation on/in BN multilayers. We demonstrate how competing long- and short-range effects cause…
The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…
Both boron nitride (BN) and carbon (C) have sp, sp2 and sp3 hybridization modes, and thus resulting in a variety of BN and C polymorphs with similar structures, such as hexagonal BN (hBN) and graphite, cubic BN (cBN) and diamond. Here, five…
Being a flexible wide band gap semiconductor, hexagonal boron nitride (h-BN) has great potential for technological applications like efficient deep ultraviolet light sources, building block for two-dimensional heterostructures and room…
Tuning band gaps in two-dimensional (2D) materials is of great interest in the fundamental and practical aspects of contemporary material sciences. Recently, black phosphorus (BP) consisting of stacked layers of phosphorene was…
Recent advancements in thermal conductivity modulating strategies have shown promising enhancements to the thermal management capabilities of two-dimensional materials. In this article, both iterative Boltzmann transport equation solution…
In this manuscript we study luminescence of hexagonal boron nitride (hBN) by means of non-equilibrium Green's functions plus time-dependent perturbation theory. We derive a formula for light emission in solids in the limit of a weak…
Anharmonic atomic motions can strongly influence the optoelectronic properties of materials but how these effects are connected to the underlying phonon band structure is not understood well. We investigate how the electronic band gap is…
We compute and discuss the electronic band structure and excitonic dispersion of hexagonal boron nitride (hBN) in the single layer configuration and in three bulk polymorphs (usual AA' stacking, Bernal AB, and rhombohedral ABC). We focus on…
Phonon-polaritons, mixed excitations of light coupled to lattice vibrations (phonons), are emerging as a powerful platform for nanophotonic applications. This is because of their ability to concentrate light into extreme sub-wavelength…
It has long been puzzling regarding the atomistic origin of the pressure-induced Raman phonon stiffening that generally follows a polynomial expression with coefficients needing physical indication. Here we show that an extension of the…