Related papers: New Superhard Carbon Phases Between Graphite and D…
Sulfur intercalated graphite composites with diamagnetic transitions at 6.7 K and 37 K are prepared. The magnetization hysteresis loops (MHL), Xray diffraction patterns, and resistance were measured. From the MHL, a slight superconducting…
The experimental observation of elusive post-diamond carbon phases at extreme pressures remains a major challenge in high-pressure science. Using metadynamics with coordination-number-based collective variables and SNAP machine-learned…
Diamond and diamond-like carbon (DLC) coatings are widely employed for their exceptional mechanical, thermal and chemical properties, but their industrial application is often limited by weak adhesion to metallic substrates. In this work,…
The characteristic results by different diagnostics on a typical hydrogenated diamond like carbon (HDLC) film synthesized directly in a capacitatively coupled RF (13.56 MHz) discharge are described. The results show some typical charecteric…
It has been reported that graphite hosts room temperature superconductivity. Here we provide new results that confirm these claims on different samples of highly oriented pyrolytic graphite (HOPG) and commercial flexible graphite gaskets…
We present a semi-anisotropic interfacial potential (SAIP) designed to classically describe the interaction between gold and two-dimensional (2D) carbon allotropes such as graphene, fullerenes, or hydrocarbon molecules. The potential is…
Recent discoveries involving high-temperature superconductivity in H3S and LaH10 have sparked a renewed interest in exploring the potential for superconductivity within hydrides. These superconductors require extremely high-pressure…
Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors, and open up the doors in searching new…
Due to the success achieved by graphene, several 2D carbon-based allotropes were theoretically predicted and experimentally synthesized. We used density functional theory and reactive molecular dynamics simulations to investigate the…
Titanium dioxide (TiO2) is a wide band gap semiconducting material which is promising for photocatalysis. Here we present first-principles calculations to study the pressure dependence of structural and electronic properties of two TiO2…
Superconductivity in intercalated graphite CaC6 and H under extreme pressure, in the framework of superconducting density functional theory, is discussed. A detailed analysis on how the electron-phonon and electron-electron interactions…
Artificial lattices have served as a platform to study the physics of unconventional superconductivity. We study semiconductor artificial graphene -- a honeycomb superlattice imposed on a semiconductor heterostructure -- which hosts the…
Hydrogen sulfide (H2S) is a prototype molecular system and a sister molecule of water. The phase diagram of solid H2S at high pressures remains largely unexplored arising from the challenges in dealing with the looser S-H bond and larger…
We report experimental results indicating possible high-temperature superconductivity in graphite intercalation compounds synthesized with lithium-based alloys. Temperature-dependent measurements of magnetization, trapped magnetic flux, and…
The discoveries of superconductivity in heavily boron-doped diamond, silicon and silicon carbide renewed the interest in the ground states of charge-carrier doped wide-gap semiconductors. Recently, aluminium doping in silicon carbide…
Based on C8, carbon 4C, with cfc topology, two hybrid carbon allotropes generated by inserting C(sp2) and C(sp1) carbon atoms into C8 diamond-like lattice were identified and labeled ene-C10 containing C(sp2) and ene-yne-C14 containing…
Solid CS$_{2}$ is superficially similar to CO$_{2}$, with the same $Cmca$ molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. We carried out an extensive first principles evolutionary…
The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has only been achieved in the laboratory for a few notable…
Atomically thin graphite, known as graphene, has been a marvel in material science because of its exceptional properties, novel physics and promising applications. Atomically thin diamond, called diamane, has also attracted considerable…
A superhard boron nitride phase dubbed as Z-BN is proposed as possible intermediate phase between h-BN and zinc blende BN (c-BN), and investigated using first-principles calculations within the framework of the density functional theory.…