Related papers: Boron: a Hunt for Superhard Polymorphs
Despite several first principles studies, the relative stability of BN polymorphs remains controversial. The stable polymorph varies between the cubic (c-BN) and hexagonal (h-BN) depending on the van der Waals (vdW) dispersion approximation…
Boron carbonitride (BxCyNz) represents an interesting family of materials containing all light elements and two dimensional graphene like hybrid layers. Although rich literature exists on this peculiar material in chemically processed form,…
We present the first numerically exact study of self-trapped, a.k.a. soliton, states of electrons that form in materials with strong quadratic coupling to the phonon coordinates. Previous studies failed to observe predictions based on the…
During the past few decades, several new classes of superconductors have been discovered. Most of these do not appear to be related to traditional superconductors. As a consequence, it is felt by many that for these materials,…
Lanthanum (La), the first member of the rare-earth elements, recently aroused strong interest due to its unique superhydride with superconducting properties. Although there is much theoretical and experimental work about phase transitions…
Once upon a time, the world was simple: the proton contained three quarks, two {\it ups} and a {\it down}. How these give the proton its mass and its spin seemed obvious. Over the past forty years the proton has become more complicated, and…
The results of experiments at hadron colliders probing the structure of the pomeron through hard diffraction are reviewed. Some results on deep inelastic diffractive scattering obtained at HERA are also discussed and placed in perspective.…
The discoveries of superconductivity in heavily boron-doped diamond (C:B) in 2004 and silicon (Si:B) in 2006 renew the interest in the superconducting state of semiconductors. Charge-carrier doping of wide-gap semiconductors leads to a…
The formation of hadrons is a fundamental process in nature that can be investigated at particle colliders. Given their large mass, heavy quarks (charm and beauty) are produced only in initial hard-scatterings, prior to hadronisation, which…
Systematic ab initio structure prediction was applied for the first time to predict low energy surface reconstructions by employing the minima hopping method on the \alpha-boron (111) surface. Novel reconstruction geometries were identified…
A new boron-rich ternary phase, Mg4Fe1.1B13.9, was discovered in the Mg-Fe-B-N quaternary system. This novel phase appears in the form of plate-like shaped crystals formed on the surface of Fe-substituted MgB2 during high-pressure,…
In this paper, we report a new boron nitride molecular structure called BN-nanobelt, an inorganic analog of (12) cyclophenacene synthesized in 2017. An extensive investigation using Density Functional Theory (DFT) and Quantum Molecular…
What is the heaviest element? In order to address this question, the elements up to $Z=118$ have been synthesized by now by using heavy-ion fusion reactions. This has completed the 7th period in the periodic table of elements, and new…
Atomically thin hexagonal boron nitride (h-BN), especially monolayer, has garnered increasing attention due to its intriguing optical and light-matter-interaction properties. However, its intrinsic optical properties and electronic band…
An understanding of the high-temperature copper oxide (cuprate) superconductors has eluded the physics community for over thirty years, and represents one of the greatest unsolved problems in condensed matter physics. Particularly enigmatic…
In this work, we employ density functional theory (DFT) to explore the structure of boron clusters doped with two chromium atoms (B$_7$Cr$_2$). The results show that the most stable structure is a bipyramidal configuration formed by a B$_7$…
The typical two-dimensional semiconductors, group \uppercase\expandafter{\romannumeral3A} chalcogenides, have garnered tremendous interest for their outstanding electronic, mechanical, and chemical properties. However, so far, there have…
Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a metastable B6C with R-3m symmetry is found to be…
Hydrogen in its metallic form is the most common material in our solar system, found under the extreme pressure and temperature conditions found in giant planets. Such conditions are inaccessible to experiment and consequently, theoretical…
In this paper, electron diffraction and optical methods are used together for the first time to study the problem of phase equilibrium in binary clusters of heavy rare gases. For the argon-xenon system, a new effect of its decay into pure…