Related papers: U-carbon: metallic and magnetic
Boron forms a wide variety of compounds with alkaline earth elements due to its unique bonding characteristics. Among these, binary compounds of Be and B display particularly rich structural diversity, attributed to the small atomic size of…
A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materials. Its application to a model system borophene reveals an…
Most recently, Cu-hexahydroxybenzene MOF was for the time experimentally realized, through a kinetically controlled approach. Cu-HHB belongs to the family of conductive MOFs with a chemical formula of M3(C6X6)2(X=NH, O, S). Motivated by the…
The work intends to extend the moir\'e physics to three dimensions. Three-dimensional moir\'e patterns can be realized in ultracold atomic gases by coupling two spin states in spin-dependent optical lattices with a relative twist, a…
Topological metal/semimetals (TMs) have emerged as a new frontier in the field of quantum materials. A few two-dimensional (2D) boron sheets have been suggested as Dirac materials, however, to date TMs made of three-dimensional (3D) boron…
The discovery of ferromagnetic order in monolayer 2D crystals has opened a new venue in the field of two dimensional (2D) materials. 2D magnets are not only interesting on their own, but their integration in van der Waals heterostructures…
A new ultra-hard rhombohedral carbon rh-C4 (or hexagonal h-C12) is reported as derived from 3R graphite through crystal chemistry construction and ground state energy within the density functional theory. An extended hexagonal…
Electronic and structural properties of a 3D carbon allotrope made of Hopf-linked graphenes, which we call a Hopfene - a type of topological crystal, are examined by semi-empirical molecular-orbital and density-functional-theoretical…
The theoretical framework, which is built from the first-principles results, is successfully developed for investigating emergent two-dimensional (2D) materials, as it is clearly illustrated by carbon substitution in silicene. Computer…
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…
Recently (C.-T. Toh et al., Nature 577, 199 (2020)), the first synthesis of free-standing monolayer amorphous carbon (MAC) was achieved. MAC is a pure carbon structure composed of five, six, seven and eight atom rings randomly distributed.…
Two-dimensional (2D) chromium-sulfides are synthesized by molecular beam epitaxy using graphene as a substrate. Structure characterization by employing scanning tunneling microscopy and low energy electron diffraction indicates that there…
Since the achievement of quantum degeneracy in gases of chromium atoms in 2004, the experimental investigation of ultracold gases made of highly magnetic atoms has blossomed. The field has yielded the observation of many unprecedented…
We present a novel transparent conductive support structure for two-dimensional (2D) materials that provides an electronically passive 2D/3D interface while also enabling facile interfacial charge transport. This structure, which comprises…
Naturally occurring materials are often disordered, with their bulk properties being challenging to predict from the structure, due to the lack of underlying crystalline axes. In this paper, we develop a digital pipeline from…
Understanding the conditions which favor crystallisation or vitrification of liquids has been a long-standing scientific problem. Another connected, and not yet well understood question is the relationship between the glassy and the various…
We review the characteristics of some carbon based novel superconductors which emerged in the past two decades since the discovery of superconductivity in the high-T_c oxocuprates. In particular, we summarize the properties of ternary…
Carbon nanotubes (CNTs) make an ideal one-dimensional (1D) material platform for the exploration of exotic physical phenomena under extremely strong quantum confinement. The 1D character of electrons, phonons and excitons in individual CNTs…
Nonlinear vibrations in strained monoatomic carbon chains are studied with the aid of ab initio methods based on the density functional theory. An unexpected phenomenon of structural transformation at the atomic level above a certain value…
We report on magnetic properties of cubic compound Cu3TeO6 studied by $ac$ and $dc$ susceptibility and neutron powder diffraction for the first time. A novel magnetic lattice, three dimensional spin web, composed of almost planar regular…