A Molecular Description of Superconductivity of Sulfur Hydride and Related Systems under High-Pressure Conditions

Abstract

It has been shown that the recently discovered sulfur trihydride (H3S) can be considered as a superconductor with a transition temperature Tc of 203 Kelvin (K) at 155 GigaPascals (GPa). This is the highest Tc value reported for any superconductor. The established superconductivity occurs via the formation of a molecular system with sulfur atoms arranged on a body-centered cubic lattice. It has been generally accepted that the high Tc value is the result of an efficient electron-phonon interaction. The responsible substance formed by H2S under high pressure, may be considered as a compound with H3S stoichiometry creating an impressive network with hydrogens. We will focus on the hydrogen bonding between sulfur and hydrogens demonstrating a symmetrical arrangement. The geometry of the individual radical compound in relation to corresponding systems will be discussed. Ab initio calculations based on a linear three-center two-, three- and four-electron type of bonding clearly visualized in combination with the dynamics of the Van’t Hoff concept, as described by us in various papers, give a good description of this exclusive network. We also discuss the superconductivity of related phosphorus hydrides and focus on the stability and geometrical differences with respect to the H3S system. These differences are significant, demonstrating the diversity in various structures in showing superconductivity.