Effect of electrons scattered by optical phonons on superconductivity in MH3 (M=S, Ti, V, Se)

Quan Zhuang; Xilian Jin; Tian Cui; Die Zhang; Ying Li; Xin Li; Kuo Bao; Bingbing Liu

doi:10.1103/PhysRevB.98.024514

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Effect of electrons scattered by optical phonons on superconductivity in MH3 (M=S, Ti, V, Se)

Quan Zhuang, Xilian Jin, Tian Cui, Die Zhang, Ying Li, Xin Li, Kuo Bao, Bingbing Liu

DOI 10.1103/PhysRevB.98.024514 · Physical Review B

T1

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Abstract

For exploring the superconductivity mechanisms and seeking potential high-temperature superconductors in hydrogen-rich compounds, we perform a systematical investigation of the phase diagram, crystal structures, electronic properties, and electron-phonon coupling (EPC) of titanium hydrides under high pressures. Strikingly, the low Tc in TiH3 (∼4 K) contrast sharply with the high Tc (above 200 K) in SH3, though they both possess the same stoichiometry and both crystallize in high-symmetrical cubic crystal. The large difference of Tc motivates us to discover the superconductive mechanism by probing the electron-phonon coupling interaction in the cubic crystal of SH3, TiH3, VH3, and SeH3. The analyses of phonon linewidths and Fermi surface nesting functions reveal that the contrasting Tc is mainly attributed to the disparate intensity of electrons interacting with optic phonons, rather than the contributions from global electronic structures. Furthermore, it is found that the strong dependency of optic phonon frequencies on the wave vector is an essential ingredient for strong EPC λ.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
TiH3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	4	Pressure not reported	unknown
SH3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	200	Pressure not reported	unknown
H3S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	200	Pressure not reported	unknown
H2S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	200	200 GPa	unknown
YH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	200	Pressure not reported	unknown
LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	200	Pressure not reported	unknown
YH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	200	Pressure not reported	unknown
TiH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	11.8	200 GPa	unknown
TiH2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	0.1	200 GPa	unknown
TiH3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	3.5	200 GPa	unknown
TiH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	77.8	200 GPa	unknown