相关论文: Gap modification of atomically thin boron nitride …

This study focuses on amorphous boron nitride ($\rm \alpha$-BN) as a novel diffusion barrier for advanced semiconductor technology, particularly addressing the critical challenge of copper diffusion in back-end-of-line (BEOL) interconnects.…

We use the energy analysis as a perturbative method to study the effect of electron-radial breathing mode (RBM) phonon interaction on the electrical conductivity of long metallic zigzag carbon nanotubes (CNTs). The band structure of zigzag…

Magnetism in 2D atomic sheets has attracted considerable interest as its existence could allow the development of electronic and spintronic devices. The existence of magnetism is not sufficient for devices, however, as states must be…

We observe a giant increase of the infrared intensity and a softening of the in-plane antisymmetric phonon mode Eu (~0.2 eV) in bilayer graphene as a function of the gate-induced doping. The phonon peak has a pronounced Fano-like asymmetry.…

We perform both lattice dynamics analysis and molecular dynamics simulations to demonstrate the existence of topologically protected phonon modes in a two-dimensional, monolayer hexagonal boron nitride sheet. The topological phonon modes…

The large bandgap and strong covalent bonds of hexagonal boron nitride (hBN) had long been thought to be chemically inert. Due to its inertness with saturated robust covalent bonds, the pristine 2D monolayer hBN cannot be functionalized for…

$\beta_{12}$-borophene nanoribbons (BNRs) exhibit magnetic zigzag edges, while other edge configurations are nonmagnetic. However, when the source, central, and drain regions of a logic device are all composed of zigzag BNRs (ZBNRs), the…

The research focuses on the explanation of a phenomenon observed in the spectra of electron nuclear resonance (ENDOR) pertaining to nitrogen atoms adjacent to the boron vacancy (VB) defect in hexagonal boron nitride (hBN). The phenomenon is…

Bilayer graphene is normally a semimetal with parabolic dispersion, but a tunable bandgap up to few hundreds meV can be opened by breaking the symmetry between the layers through an external potential. Ab-initio calculations show that the…

The interaction of electron-hole pairs with lattice vibrations exhibits a wealth of intriguing physical phenomena. The Kohn anomaly is a renowned example where electron-phonon coupling leads to non-analytic phonon dispersion at specific…

We report evidence of a non-adiabatic Kohn anomaly in boron-doped diamond, using a joint theoretical and experimental analysis of the phonon dispersion relations. We demonstrate that standard calculations of phonons using density functional…

For many materials, Raman spectra are intricately structured and provide valuable information about compositional stoichiometry and crystal quality. Here we use density-functional theory calculations, mass approximation, and the Raman…

Using density functional theory calculations, we have examined the structural stability, electronic, magnetic and optical properties of rectangular shaped quantum dots (QDs) of graphene (G), Boron Nitride (BN) and their hybrids. Different…

We present a tunable phononic crystal which undergoes a phase transition from mechanically insulating to mechanically transmissive (metallic). Specifically, in our simulations for a phononic lattice under biaxial tension ($\sigma_{xx}…

The integration of photonic and phononic bandgaps within a single scalable architecture promises transformative advances in optomechanical and acousto-optic devices. Here, we design and simulate a two-dimensional hexagonal lattice in…

The electronic properties graphene nanoflakes (GNFs) with embedded hexagonal boron nitride (hBN) domains are investigated by combined {\it ab initio} density functional theory calculations and machine learning techniques. The energy gaps of…

While resonant modes do not exist within band gaps in infinite periodic materials, they may appear as in-gap localized edge modes once the material is truncated to form a finite periodic structure. Here, we provide an analysis framework…

Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. To establish basics needs for reliable calculations, we…

Near band-gap luminescence (hnu > 5 eV) of hexagonal boron nitride has been studied by means of the time- and energy-resolved photoluminescence spectroscopy method. Two emissions have been observed at 5.5 eV and 5.3 eV. The high-energy…

Boron nitride (BN) is a structurally versatile insulator since it can be found in several crystalline structures with interesting mechanical and electrical properties, making this material attractive for technological applications. Seeking…