New superconducting superhydride LaC2H8 at relatively low stabilization pressure

Literature Information

Publication Date 2021-10-15
DOI 10.1039/D1CP03896F
Impact Factor 3.676
Authors

Artur P. Durajski, Radosław Szczęśniak


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Abstract

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 LaC2H8 ternary system is dynamically and thermally stable above 70 GPa in a clathrate structure with space group Fmm and exhibits a superconducting critical temperature, Tc, in the range of 69–140 K.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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