Related papers: Interface Structure and Electronic Properties in C…
Electronic band structure and energetic stability of two types of and oriented silicon nanowires in beta-Sn phase with the surface terminated by hydrogen atoms were studied using density functional theory. It was found that beta-Sn…
Tailor-made magnetic nanostructures offer a variety of functionalities useful for technological applications. In this work, we explore the possibilities of realizing Fe nanostructures at the interfaces of 2D graphene and h-BN by ab initio…
We investigate band-gap tuning of bilayer graphene between hexagonal boron nitride sheets, by external electric fields. Using density functional theory, we show that the gap is continuously tunable from 0 to 0.2 eV, and is robust to…
Heterostructures of van der Waals bonded layered materials offer unique means to tailor dielectric screening with atomic-layer precision, opening a fertile field of fundamental research. The optical analyses used so far have relied on…
The electronic structure of heterointerfaces play a pivotal role in their device functionality. Recently, highly crystalline ultrathin films of superconducting NbN have been integrated by molecular beam epitaxy with the semiconducting GaN.…
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,…
Van der Waals heterostructures formed by assembling different two-dimensional atomic crystals into stacks can lead to many new phenomena and device functionalities. In particular, graphene/boron-nitride heterostructures have emerged as a…
Nitrogen-vacancy (NV) centers in diamond are extensively utilized as quantum sensors for imaging fields at the nanoscale. The ultra-high sensitivity of NV magnetometers has enabled the detection and spectroscopy of individual electron…
Hexagonal boron nitride (h-BN) is a tantalizing material for solid-state quantum engineering. Analogously to three-dimensional wide-bandgap semiconductors like diamond, h-BN hosts isolated defects exhibiting visible fluorescence, and the…
The influence of disorder, both structural (non-diagonal) and on-site (diagonal), is studied through the inhomogeneous Bogoliubov-de Gennes (BdG) theory in narrow-band disordered superconductors with a view towards understanding…
We investigate the effects of a novel approach to diamond nanofabrication and nitrogen vacancy (NV) center formation on the optical linewidth of the NV zero-phonon line (ZPL). In this post-implantation method, nitrogen is implanted after…
Nanostructure and mechanical properties of bulk nanocristalline cubic boron nitride have been studied by transmission electron microscopy, and micro- and nanoindentation. The obtained data on hardness, elastic properties and fracture…
Dense, near-surface (within 10 nm) ensembles of nitrogen-vacancy (NV) centres in diamond are rapidly moving into prominence as the workhorse of a variety of envisaged applications, ranging from the imaging of fast-fluctuating magnetic…
We carried out a first principles investigation on the microscopic properties of nickel-related defect centers in diamond. Several configurations, involving substitutional and interstitial nickel impurities, have been considered either in…
Crystalline black nitrogen (BN) is an allotrope of nitrogen with the black phosphorus (BP) structure recently synthesized at high pressure by two independent research groups [Ji et al., Sci. Adv. 6, eaba9206 (2020); Laniel et al., Phys.…
We have successfully obtained a ZnO/ZnS heterostructure by heating a ZnS(001) single crystal in a controlled impurities-free oxygen atmosphere. Combining X-ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM), we explore…
In this study, we employ a first-principles approach to conduct a comprehensive investigation of the properties of nine common native point defects in cubic boron nitride. This analysis combines standard semi-local and dielectric hybrid…
Organic semiconductors are attractive building blocks for electronic devices due to their low cost and flexibility. Furthermore, heterostructures with type-II band alignments can efficiently separate photogenerated charges via a charge…
Isolated hydrogen and hydrogen pairs in bulk diamond matrix have been studied using density functional theory calculations. The electronic structure and stability of isolated and paired hydrogen defects are investigated at different…
The surface conductivity of hydrogen-terminated diamond is a topic of great interest from both scientific and technological perspectives. This is primarily due to the fact that the conductivity is exceptionally high without the need for…