Related papers: New Superhard Carbon Phases Between Graphite and D…
The computational and experimental exploration of the phase diagrams of binary hydrides under high pressure has uncovered phases with novel stoichiometries and structures, some which are superconducting at quite high temperatures. Herein we…
Ab initio molecular dynamic method within the framework of density functional theory is applied to analyze the structural and electronic properties of crystalline molecular hydrogen at temperature 100\,K. Pressure, pair correlation function…
In this work a systematic approach to the search for all-$sp^2$ bonded carbon allotropes with low density is presented. In particular, we obtain a number of novel energetically stable crystal structures, whose arrangement is closely related…
Unconventional superconductivity in bilayer graphene has been reported for twist angles $\theta$ near the first magic angle and charged electrostatically with holes near half filling of the lower flat bands. A maximum superconducting…
Since its discovery in 2004, graphene, a two-dimensional hexagonal carbon allotrope, has generated great interest and spurred research activity from materials science to particle physics and vice versa. In particular, graphene has been…
In this paper, we consider the optimum coordinate of the penta-graphene. Penta-graphene is a new stable carbon allotrope which is stronger than graphene. Here, we compare the band gap of penta-graphene with various density functional theory…
Hydrogen-sulfide (H2S) was studied by x-ray synchrotron diffraction (XRD) and Raman spectroscopy up to 150 GPa at 180-295 K and by quantum-mechanical variable-composition evolutionary simulations. The experiments show that H2S becomes…
We study models for superconductivity with two interactions: $V^>$ due to antiferromagnetic(AF) fluctuations and $V^<$ due to phonons, in a weak coupling approach to the high temperature superconductivity. The nature of the two interactions…
Satterthwaite and Toepke (1970 Phys. Rev. Lett. 25 741) predicted high-temperature superconductivity in hydrogen-rich metallic alloys, based on an idea that these compounds should exhibit high Debye frequency of the proton lattice, which…
Room-temperature superconductivity was recently discovered in carbonaceous sulfur hydride (C-S-H) close to 3\,Mbar. We report significant differences in the superconducting response of C-S-H, with a maximum $T_{C}$ of 191(1)\,K, below a…
Using evolutionary algorithm for crystal structure prediction, we present a new stable two-dimensional (2D) carbon allotrope composed of polymerized as-indacenes (PAI) in a zigzag pattern, namely PAI-graphene whose energy is lower than most…
The growing demand for efficient energy storage has driven the search for advanced anode materials for lithium- and sodium-ion batteries (LIBs and SIBs). In this context, we report the application of HOP-graphene (a 5-6-8-membered 2D carbon…
Various electronic phases emerge when applying high magnetic fields in graphite. However, the origin of a semimetal-insulator transition at $B \simeq 30\; \textrm{T}$ is still not clear, while an exotic density-wave state is theoretically…
We report on the observation of Coulomb drag between graphene-hexagonal boron nitride (hBN) moir\'{e} heterostructure with a moir\'{e} wavelength of $\sim$14 nm and an intrinsic graphene with a lattice constant of $\sim$0.25 nm. By tuning…
Graphene is at the forefront of condensed matter sciences, because of a variety of interesting phenomena it supports. If graphene could support high Tc superconductivity, after doping for example, it will make it even more valuable. Some…
The power of polymorphism in carbon is vividly manifested by the numerous applications of carbon-based nano-materials. Ranging from environmental issues to biomedical applications, it has the potential to address many of today's dire…
Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is…
Novel wide-band-gap semiconductors are needed for next-generation power electronic but there is a gap between a promising material and a functional device. Finding stable contacts is one of the major challenges, which is currently dealt…
We report the discovery of superconductivity below 1.65(6) K in Sr-intercalated graphite SrC6, by susceptibility and specific heat (Cp) measurements. In comparison with CaC6, we found that the anisotropy of the upper critical fields for…
The recent discovery of H3S and LaH10 superconductors with record high superconducting transition temperatures, Tc, at high pressure, has fueled the search for room-temperature superconductivity in the compressed superhydrides. Here we…