Related papers: Hyperhoneycomb boron nitride with anisotropic mech…
Binary carbides demonstrate attractive set of physical properties that are suitable for numerous and diverse applications. In the present study, we have explored the structural properties, electronic structures, elastic constants, acoustic…
The boron nitride (BN) analogue of 8-16-4 graphyne, termed SBNyne, is proposed for the first time. Its physical properties were explored using first-principles calculations and classical molecular dynamics (MD) simulations. Thermal…
Computational materials are pivotal in advancing our understanding of distinct material classes and their properties, offering valuable insights in predicting novel structures and complementing experimental approaches. In this context,…
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 synthesis of IrI$_3$ at high pressure in its layered honeycomb polymorph is reported. Its crystal structure is refined by single crystal X-ray diffraction. Faults in the honeycomb layer stacking are observed by single crystal…
Hexagonal Boron Nitride (h-BN) is a highly intriguing candidate for heterostructure optoelectronic applications, such as Deep Ultraviolet photodetectors, UV sensing and communication systems and solar cells. This is primarily due to its…
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…
Two decades since its discovery, superconducting heavily boron-doped diamond (HBDD) still presents unresolved fundamental questions whose resolution is relevant to the development of this material for quantum technologies. We use electrical…
The group IV-VI compound SnSe, with an orthorhombic lattice structure, has recently attracted particular interest due to its unexpectedly low thermal conductivity and high power factor, showing great promise for thermoelectric applications.…
Two-dimensional honeycomb crystals have inspired intense research interest for their novel properties and great potential in electronics and optoelectronics. Here, through molecular beam epitaxy on SrTiO3(001), we report successful…
In this paper, three novel metallic sp2/sp3 -hybridized Boron Nitride (BN) polymorphs are proposed by first-principles calculations. One of them, named as tP-BN, is predicted based on the evolutionary particle swarm structural search. tP-BN…
Polymer composites with thermally conductive nanoscale filler particles, such as graphene and hexagonal boron nitride (h-BN), are promising for certain heat transfer applications. While graphene-polymer composites have been extensively…
Here, we study YbI$_3$, a quasi-2D layered material with Yb atoms arranged on an ideal honeycomb network of edge-sharing YbI$_6$ octahedra, analogous to the low-temperature phase of $\alpha-$RuCl$_3$. High quality single crystals of YbI$_3$…
We report the first observation of substitutional silicon atoms in single-layer hexagonal boron nitride (h-BN) using aberration corrected scanning transmission electron microscopy (STEM). The medium angle annular dark field (MAADF) images…
We demonstrate that the valence energy-loss function of hexagonal boron nitride (hBN) displays a strong anisotropy in shape, excitation energy and dispersion for momentum transfer q parallel or perpendicular to the hBN layers. This is…
We review the basic optical, electronic, optoelectronic, thermoelectric and mechanical properties of few-layer black phosphorus (BP), a layered semiconductor that can be exfoliated from bulk BP, the most stable allotrope of phosphorus. The…
We investigate theoretically the electronic structure of graphene and boron nitride (BN) lateral heterostructures, which were fabricated in recent experiments. The first-principles density functional calculation demonstrates that a huge…
We demonstrate single crystal growth of wafer-scale hexagonal boron nitride (hBN), an insulating atomic thin monolayer, on high-symmetry index surface plane Cu(111). The unidirectional epitaxial growth is guaranteed by large binding energy…
A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal…
A quantitative analysis of the excitonic luminescence efficiency in hexagonal boron nitride (hBN) is carried out by cathodoluminescence in the ultraviolet range and compared with zinc oxide and diamond single crystals. A high quantum yield…