Ab initio investigation of hydrogen-based high T c superconductor that is stable under ambient environment

We report an ab initio investigation of a hydrogen-based high- T c superconductor candidate—crystalized C 4 H 4 in the cubic-gauche ( cg -C 4 H 4 ) structure, with the symmetry of space group I 213 . We find the cg -C 4 H 4 structure to be stable under ambient environment; and the evaluation of the...

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Vydané v:New journal of physics Ročník 22; číslo 12; s. 123017
Hlavný autor: Zhang, Ting
Médium: Journal Article
Jazyk:English
Vydavateľské údaje: IOP Publishing 01.12.2020
Predmet:
electron-phonon interaction
hydrogen based superconductivity
phonon spectrum
stability
ISSN:1367-2630, 1367-2630
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Shrnutí:We report an ab initio investigation of a hydrogen-based high- T c superconductor candidate—crystalized C 4 H 4 in the cubic-gauche ( cg -C 4 H 4 ) structure, with the symmetry of space group I 213 . We find the cg -C 4 H 4 structure to be stable under ambient environment; and the evaluation of the electron-phonon coupling strength indicates that the heavily doped cg -C 4 H 4 can generate superconductivity with a T c ∼ 72 K. The high frequency vibrational modes of hydrogen atoms are found to play an important role in the total electron-phonon interaction strength, and the reduction of structural symmetry compared with graphene further enhances the electron–phonon coupling of the carbon framework. Our investigation illustrates a BCS route to realizing the hydrogen-based high T c superconductivity.
ISSN:1367-2630
1367-2630
DOI:10.1088/1367-2630/abce77