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Title: Superconducting Lithium Hydride in a Chemical Capacitor Setup: A Theoretical Study
Metallization of the ionic hydride LiH has never been achieved experimentally, even under high external pressure. Herein, a novel “chemical capacitor” setup to facilitate its metallization under ambient pressure conditions is applied. The findings reveal that a single layer of this material can withstand doping levels up to an impressive 0.61 holes per H atom without structural collapse, as demonstrated in the ZrC | LiH | ZrC system. Additionally, the electron–phonon coupling strength (λ) reaches a remarkable value of 2.1 in the TiO | LiH | TiO system, indicative of the strong coupling regime. Superconductivity calculations further predict a maximum critical temperature () of 17.5 K for 0.31‐hole‐doped LiH with (LiBaF3)2as surrounding support layers in the absence of external pressure.  more » « less
Award ID(s):
2035518
PAR ID:
10654849
Author(s) / Creator(s):
 ;  ;  ;  
Publisher / Repository:
Wiley-VCH
Date Published:
Journal Name:
ChemPhysChem
Volume:
26
Issue:
13
ISSN:
1439-4235
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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