Possible Superconductivity Approaching Ice Point

Abstract

Recently BCS superconductivity at 203 K has been discovery in a highly compressed hydrogen sulfide. We use first-principles calculations to systematically examine the effects of partially substituting the chalcogen atoms on the superconductivity of hydrogen chalcogenides under high pressures. We find detailed trends of how the critical temperature changes with increasing the V-, VI- or VII-substitution rate, which highlight the key roles played by low atomic mass and by strong covalent metallicity. In particular, a possible record high critical temperature of 280 K is predicted in a stable H3S0.925P0.075 with the Im-3m structure under 250 GPa.

arXiv comment7 pages, 4 figures

References in corpus (36)

• Relativistic separable dual-space Gaussian Pseudopotentials from H to Rn
• Conventional superconductivity at 203 K at high pressures
• Superconductivity in diamond
• Superconductive "sodalite"-like clathrate calcium hydride at high pressures
• Boron Isotope Effect in Superconducting MgB${}_2$
• Superconductivity of MgB2: Covalent Bonds Driven Metallic
• The virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites
• The metallization and superconductivity of dense hydrogen sulfide
• Superconductivity up to 37 K in (A1-xSrx)Fe2As2 with A=K and Cs
• Crystal Structure of 200 K-Superconducting Phase of Sulfur Hydride System
• Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
• Pressure-induced decomposition of solid hydrogen sulfide
• Similarities between structural distortions under pressure and chemical doping in superconducting BaFe2As2
• Electronic Structure, Electron-Phonon Coupling, and Multiband Effects in MgB2
• Three-dimensional MgB${}_2$-type superconductivity in hole-doped diamond
• What superconducts in sulfur hydrides under pressure, and why
• Prediction of High Tc Superconductivity in Hole-doped LiBC
• Origin of Superconductivity in Boron-doped Diamond
• Cubic H${}_3$S around 200 GPa: an atomic hydrogen superconductor stabilized by sulfur
• High temperature superconductivity in sulfur and selenium hydrides at high pressure
• First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
• Tellurium Hydrides at High Pressures: High-temperature Superconductors
• van Hove singularities and spectral smearing in high temperature superconducting H3S
• Influence of bonding on superconductivity in high-pressure hydrides
• The crystal structure of cold compressed graphite
• High pressure structures of disilane and their superconducting properties
• Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides
• Predicted formation of superconducting platinum-hydride crystals under pressure in the presence of molecular hydrogen
• Superconductivity above 100 K in PH3 at high pressures
• Comparison of pressurized sulfur hydride with conventional superconductors
• Conventional superconductivity at 190 K at high pressures
• High pressure phases in highly piezoelectric Pb(Zr0.52Ti0.48)O3
• Non-BCS thermodynamic properties of H2S superconductor
• Two Dimensional Diluted Magnetic Semiconductor Systems
• Electron-phonon coupling and exchange-correlation effects in superconducting ${\mathrm{H}}_3\mathrm{S}$ under high pressure
• Superconductivity near lattice instability: the case of NbC${}_{1-x}$N${}_x$ and NbN

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