Quantum structural fluxion in superconducting lanthanum polyhydride

The role of stoichiometric defects in the superconducting polyhydride LaH10±δ has received little attention so far. Here, the authors use molecular-dynamics simulations to show that a small amount of stoichiometric defects will cause quantum proton diffusion in the otherwise rigid lanthanum lattice....

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Bibliographic Details
Main Authors: Hui Wang, Pascal T. Salzbrenner, Ion Errea, Feng Peng, Ziheng Lu, Hanyu Liu, Li Zhu, Chris J. Pickard, Yansun Yao
Format: Article
Language:English
Published: Nature Portfolio 2023-03-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-023-37295-1