Route to high-[Formula: see text] superconductivity of [Formula: see text] via strong bonding of boron-carbon compound at high pressure.

ABSTRACT: We have analyzed the compositions of boron-carbon system, in which the [Formula: see text] compound is identified as structural stability at high pressure. The first-principles calculation is used to identify the phase diagram, electronic structure, and superconductivity of [Formula: see text]. Our results have demonstrated that the [Formula: see text] is thermodynamically stable in the diamond-like [Formula: see text] structure at a pressure above 244 GPa, and under temperature also. Feature of chemical bonds between B and C atoms is presented using the electron localization function. The strong chemical bonds in diamond-like [Formula: see text] structure are covalent bonds, and it exhibits the s-p hybridization under the pressure compression. The Fermi surface shape displays the large sh

SUBMITTER: Tsuppayakorn-Aek P 

PROVIDER: S-EPMC7581753 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature