Single-Electron Bond in Ir–Ir Dimer Stabilized under Pressure
Cheng Peng, Mingyu Xu, Jie Li, Weiwei Xie

TL;DR
A new material with a single-electron bond between iridium atoms is discovered, showing unique magnetic properties under high pressure.
Contribution
The discovery of a single-electron bond in an Ir–Ir dimer and its stabilization under pressure in a new iridate compound.
Findings
The Ir–Ir dimer in Ba3NbIr2O9 contains an unpaired electron, leading to electronic instability.
Magnetic susceptibility and specific heat measurements show no long-range magnetic order down to 1.8 K.
Electronic structure calculations suggest a homogeneous Ir3.5+–Ir3.5+ configuration in the dimer.
Abstract
Odd-electron bonds, often considered ephemerally stable in chemical systems, can give rise to exotic physical phenomena in quantum materials. In this study, we present the design and discovery of a new iridate, Ba3NbIr2O9, which hosts a single-electron bond within an Ir–Ir dimer. Ba3NbIr2O9 was synthesized under high-pressure and high-temperature conditions and crystallizes in a hexagonal structure (space group P63/mmc). The Ir–Ir (III, IV) dimer contains an unpaired electron, leading to an electronically unstable state with potentially frustrated magnetic interactions. Magnetic susceptibility measurements reveal a paramagnetic ground state with no long-range magnetic order down to 1.8 K, despite a Curie–Weiss temperature of −26.9 K. A sign of short-range magnetic ordering is observed below 5 K. The specific heat measurements down to 1.8 K confirm that no long-range ordering is observed…
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Taxonomy
TopicsAdvanced Condensed Matter Physics · Physics of Superconductivity and Magnetism · Organic and Molecular Conductors Research
