New superconducting superhydride LaCH at relatively low stabilization pressure

Motivated by the recent experimental discovery of high-temperature carbonaceous sulfur hydride (C-S-H), we have systematically explored the superconductivity of a carbonaceous lanthanum hydride (C-La-H) ternary compound in the pressure range of 50-250 GPa. Based on first-principles calculations and...

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Published in:Physical chemistry chemical physics : PCCP 2021-11, Vol.23 (44), p.257-2574
Main Authors: Durajski, Artur P, Szcz niak, Rados aw
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Summary:Motivated by the recent experimental discovery of high-temperature carbonaceous sulfur hydride (C-S-H), we have systematically explored the superconductivity of a carbonaceous lanthanum hydride (C-La-H) ternary compound in the pressure range of 50-250 GPa. Based on first-principles calculations and strong-coupling Migdal-Eliashberg theory, we find that a hitherto unreported LaC 2 H 8 ternary system is dynamically and thermally stable above 70 GPa in a clathrate structure with space group Fm 3&cmb.macr; m and exhibits a superconducting critical temperature, T c , in the range of 69-140 K. A hitherto unreported LaC 2 H 8 ternary system is dynamically and thermally stable above 70 GPa in a clathrate structure and exhibits a superconducting critical temperature, T c , in the range of 69-140 K.
ISSN:1463-9076
1463-9084
DOI:10.1039/d1cp03896f