Phonon-mediated superconductivity in transition-metal trioxides XO3 (X = Ru, Re, Os, Ir, Pt) under pressure

Abstract

A recent experiment by Shan {\it et al} [arXiv:2304.09011] found that rhenium trioxide ReO${}_3$, a simple metal at the ambient pressure, becomes superconducting with a transition temperature as high as 17 K at 30 GPa. In this paper, we analyze the electron-phonon origin of superconductivity in rhombohedral ReO${}_3$ in detail. In addition, we also conduct a high-throughout screening of isostructural transition-metal trioxides XO${}_3$ in searching for potential pressure-induced superconductors. Totally twenty-eight XO${}_3$ compounds have been studied, in which four candidates RuO${}_3$, OsO${}_3$, IrO${}_3$ and PtO${}_3$ are predicted superconducting with the transition temperatures of 26.4, 30.3, 0.9 and 2.8 K at 30 GPa, respectively. Both IrO${}_3$ and PtO${}_3$ stay superconducting even at the ambient pressure. In ReO${}_3$, RuO${}_3,$OsO${}_3$ and IrO${}_3$, the conduction electrons around the Fermi level are dominantly from the X-d and the O-2p orbitals, and their electron-phonon coupling originates from the lattice dynamics of both the heavier transition-metal-atom and the oxygen-atom. Inclusion of spin-orbital coupling would mildly suppress the transition temperatures of these transition-metal trioxide superconductors except RuO${}_3$.

References in corpus (19)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Superconductive "sodalite"-like clathrate calcium hydride at high pressures
• Towards high-throughput superconductor discovery via machine learning
• Improved tetrahedron method for the Brillouin-zone integration applicable to response functions
• Feasible route to high-temperature ambient-pressure hydride superconductivity
• Pressure-induced Superconductivity at 32 K in MoB2
• Prediction of Ambient Pressure Conventional Superconductivity above 80K in Thermodynamically Stable Hydride Compounds
• Room Temperature Superconductivity: the Roles of Theory and Materials Design
• Absence of near-ambient superconductivity in LuH${}_{2\pm \text{x}}$N${}_y$
• Prediction of superconducting properties of CaB2 using anisotropic Eliashberg theory
• Pressure-induced color change in the lutetium dihydride LuH2
• The near room-temperature upsurge of electrical resistivity in Lu-H-N is not superconductivity, but a metal-to-poor-conductor transition
• Observation of non-superconducting phase changes in LuH${}_{2\pm \text{x}}$N${}_y$
• Superconductive materials with MgB2-like structures from data-driven screening
• Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH${}_6$ octahedra
• Leading components and pressure-induced color changes in N-doped lutetium hydride
• A first-principles investigation of the origin of superconductivity in TlBi${}_2$
• Crystal structures and high-temperature superconductivity in molybdenum-hydrogen binary system under high pressure