Authors
Mads F Hansen, Lewis J Conway, Kapildeb Dolui, Christoph Heil, Chris J Pickard, Anna Pakhomova, Mohammed Mezouar, Martin Kunz, Rohit P Prasankumar, Timothy A Strobel
Publication date
2024/6/13
Journal
arXiv preprint arXiv:2406.09538
Description
Following long-standing predictions associated with hydrogen, high-temperature superconductivity has recently been observed in several hydride-based materials. Nevertheless, these high- phases only exist at extremely high pressures, and achieving high transition temperatures at ambient pressure remains a major challenge. Recent predictions of the complex hydride MgIrH may help overcome this challenge with calculations of high- superconductivity (65 K 170 K) in a material that is stable at atmospheric pressure. In this work, the synthesis of MgIrH was targeted over a broad range of - conditions, and the resulting products were characterized using X-ray diffraction (XRD) and vibrational spectroscopy, in concert with first-principles calculations. The results indicate that the charge-balanced complex hydride MgIrH is more stable over all conditions tested up to ca 28 GPa. The resulting hydride is isostructural with the predicted superconducting MgIrH phase except for a single hydrogen vacancy, which shows a favorable replacement barrier upon insertion of hydrogen into the lattice. Bulk MgIrH is readily accessible at mild - conditions and may thus represent a convenient platform to access superconducting MgIrH via non-equilibrium processing methods.
Scholar articles
MF Hansen, LJ Conway, K Dolui, C Heil, CJ Pickard… - arXiv preprint arXiv:2406.09538, 2024