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The recent theory-driven discovery of a class of clathrate hydrides (e.g., CaH6, YH6, YH9, and LaH10) with superconducting critical temperatures (Tc) well above 200 K has opened the prospects for “hot” superconductivity above room temperature under pressure. Recent efforts focus on the search for superconductors among ternary hydrides that accommodate more diverse material types and configurations compared to binary hydrides. Through extensive computational searches, we report the prediction of a unique class of thermodynamically stable clathrate hydrides structures consisting of two previously unreported H24and H30hydrogen clathrate cages at megabar pressures. Among these phases, LaSc2H24shows potential hot superconductivity at the thermodynamically stable pressure range of 167 to 300 GPa, with calculatedTcs up to 331 K at 250 GPa and 316 K at 167 GPa when the important effects of anharmonicity are included. The very high critical temperatures are attributed to an unusually large hydrogen-derived density of states at the Fermi level arising from the newly reported peculiar H30as well as H24cages in the structure. Our predicted introduction of Sc in the La–H system is expected to facilitate future design and realization of hot superconductors in ternary clathrate superhydrides.
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Road to Room-Temperature Superconductivity: Tc above 260 K in Lanthanum Superhydride under Pressure
The use of high pressure to realize superconductivity in the vicinity of room temperature has a long history, much of it focused on achieving this in hydrogen-rich materials. This paper provides a brief overview of the work presented at this May 2018 conference, together with background on motivation and techniques, the theoretical predictions of superconductivity in lanthanum hydride, and the subsequent experimental confirmation. Theoretical calculations using density-functional based structure-search methods combined with BCS-type models predicted a new class of dense, hydrogen-rich materials – superhydrides (MHx, with x > 6 and M selected rare earth elements) – with superconducting critical temperatures (Tc) in the vicinity of room-temperature at and above 200 GPa pressures. The existence of a series of these phases in the La-H system was subsequently confirmed experimentally, and techniques were developed for their syntheses and characterization, including measurements of structural and transport properties, at megabar pressures. Four-probe electrical transport measurements of a cubic phase identified as LaH10 display signatures of superconductivity at temperatures above 260 K near 200 GPa. The results are supported by pseudo-four probe conductivity measurements, critical current determinations, low-temperature x-ray diffraction, and magnetic susceptibility measurements. The measured high Tc is in excellent agreement with the original calculations. The experiments also reveal additional superconducting phases with Tc between 150 K and above 260 K. This effort highlights the novel physics in hydrogen-rich materials at high densities, the success of ‘materials by design’ in the discovery and creation of new materials, and the possibility of new classes of superconductors Tc‘s at and above room temperature.
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- Award ID(s):
- 1809783
- PAR ID:
- 10191665
- Date Published:
- Journal Name:
- Proceedings of the International Symposium Superconductivity and Pressure: A Fruitful Relationship on the Road to Room Temperature Superconductivity. May, 21-22 - 2018. Madrid - Spain
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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