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Prediction of p-block-based ternary superconductors XC2H8 at low pressure.

Authors :
Wrona, Izabela A.
Niegodajew, Paweł
Li, Yinwei
Durajski, Artur P.
Source :
NPJ Computational Materials; 12/20/2024, Vol. 10 Issue 1, p1-8, 8p
Publication Year :
2024

Abstract

Achieving room-temperature superconductivity under ambient conditions is one of the most important goals in solid-state physics and material science. Recent discoveries of high-T<subscript>c</subscript> superconductivity in binary hydrides H<subscript>3</subscript>S and LaH<subscript>10</subscript> at high pressures have focused the search for room-temperature superconductors on dense hydrides with conventional phonon-mediated pairing mechanisms. In this study, we predict a novel family of superconducting ternary hydrides under moderate compression, XC<subscript>2</subscript>H<subscript>8</subscript> (X = Ga, In, Tl, Sn, Pb, Sb, Bi, Te, Po). Unlike H<subscript>3</subscript>S and LaH<subscript>10</subscript>, these new materials are stable at just around 20 GPa. Among the analyzed compounds, SbC<subscript>2</subscript>H<subscript>8</subscript> exhibits the highest critical temperature of 73 K at a pressure of 100 GPa, which is attributed to its energetically favorable high-symmetry crystal structure ( F m 3 ¯ m ), high density of states at the Fermi level (1.27 states/eV) and strong electron–phonon coupling constant (1.02). We expect that our findings provide crucial insights into achieving high-temperature superconductivity at moderate pressures and accelerate the progress of experimental research. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20573960
Volume :
10
Issue :
1
Database :
Complementary Index
Journal :
NPJ Computational Materials
Publication Type :
Academic Journal
Accession number :
181829948
Full Text :
https://doi.org/10.1038/s41524-024-01490-5