A recent experiment by P. F. Shan et al. (arXiv:2304.09011) found that rhenium trioxide ReO3, a simple metal at 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 ReO3 in detail. In addition, we also conduct a high-throughput screening of isostructural transition metal trioxides 𝑋⁢O3 in searching for potential pressure-induced superconductors. In total, 28 𝑋⁢O3 compounds have been studied, of which four candidates RuO3, OsO3, IrO3, and PtO3 are predicted superconducting with the transition temperatures of 26.4, 30.3, 0.9, and 2.8 K at 30 GPa, respectively. Both IrO3 and PtO3 stay superconducting even at ambient pressure. In ReO3, RuO3,OsO3, and IrO3, the conduction electrons around the Fermi level are dominantly from the X-d and the O-2⁢𝑝 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 RuO3.

中文翻译：

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过渡金属三氧化物XO3（X=Ru，Re，Os，Ir，Pt）在压力下的声子介导超导性


P. F. Shan 等 人最近的一项实验 （arXiv：2304.09011） 发现，三氧化二铼 ReO3 是一种在环境压力下的简单金属，在 30 GPa 时转变为超导，转变温度高达 17 K。在本文中，我们详细分析了菱面体 ReO3 中超导性的电子-声子起源。此外，我们还对同构过渡金属三氧化物 XO3 进行了高通量筛选，以寻找潜在的压力诱导超导体。总共研究了 28 种 XO3 化合物，其中预测了四种候选 RuO3、 OsO3、 IrO3 和 PtO3 在 30 GPa 时的转变温度分别为 26.4、30.3、0.9 和 2.8 K。IrO3 和 PtO3 即使在环境压力下也能保持超导。在 ReO3、 RuO3、OsO3 和 IrO3 中，费米能级周围的传导电子主要来自 X-d 和 O-2p 轨道，它们的电子-声子耦合源于较重的过渡金属原子和氧原子的晶格动力学。包含自旋轨道耦合将温和地抑制这些过渡金属三氧化物超导体的转变温度，但 RuO3 除外。