Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session K20: Matter at Extreme Conditions: Material Response and Phase Transitions
3:00 PM–5:48 PM,
Tuesday, March 5, 2024
Room: M101ABC
Sponsoring
Units:
GCCM DCOMP DMP
Chair: Seokbin Lim, New Mexico Institute of Mining and Technology
Abstract: K20.00002 : Coexistence of Superionicity and Superconductivity in Li2MgH16*
3:12 PM–3:24 PM
Presenter:
Haoran Chen
(Peking Univ)
Authors:
Haoran Chen
(Peking Univ)
Junren Shi
(Peking Univ)
In this work, we study superconductivity in the superionic phase of the clathrate hydride Li2MgH16, where hydrogen ions diffuse among the lattice formed by lithium and magnesium ions. By employing the SPIA, we non-perturbatively take into account the effects of quantum diffusion and anharmonic vibrations. Our calculations show strong electron-ion coupling (λ(0)) and a high superconducting transition temperature (Tc) of 277 K under 260 GPa, at which the material is still superionic. Tc is significantly suppressed compared with the result Tc=473 K obtained from the conventional approach based on the harmonic approximation. Our study, based on a first-principles approach applicable to superionic systems, predicts that the superconductivity and superionicity can coexist in Li2MgH16.
*The authors are supported by the National Science Foundation of China under Grant No. 12174005, the National Key R&D Program of China under Grand Nos. 2018YFA0305603 and 2021YFA1401900.
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