Breakdown of the Migdal approximation at Lifshitz transitions with giant zero-point motion in H3S superconductor

Abstract

While 203 K high temperature superconductivity in H3S has been interpreted by BCS theory in the dirty limit here we focus on the effects of hydrogen zero-point-motion and the multiband electronic structure relevant for multigap superconductivity near Lifshitz transitions. We describe how the topology of the Fermi surfaces evolves with pressure giving different Lifshitz-transitions. A neck-disrupting Lifshitz-transition (type 2) occurs where the van Hove singularity, vHs, crosses the chemical potential at 210 GPa and new small 2D Fermi surface portions appear with slow Fermi velocity where the Migdal-approximation becomes questionable. We show that the neglected hydrogen zero-point motion ZPM, plays a key role at Lifshitz transitions. It induces an energy shift of about 600 meV of the vHs. The other Lifshitz-transition (of type 1) for the appearing of a new Fermi surface occurs at 130 GPa where new Fermi surfaces appear at the Gamma point of the Brillouin zone here the Migdal-approximation breaks down and the zero-point-motion induces large fluctuations. The maximum Tc=203K occurs at 160 GPa where Ef/w0=1 in the small Fermi surface pocket at Gamma point. A Feshbach-like resonance between a possible BEC-BCS condensate at Gamma and the BCS condensate in different k-space spots is proposed.

11 pages, 11 figures

References in corpus (19)

• Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
• A superconductor to superfluid phase transition in liquid metallic hydrogen
• Pressure-induced decomposition of solid hydrogen sulfide
• Inhomogeneity of charge density wave order and quenched disorder in a high Tc superconductor
• Cubic H${}_3$S around 200 GPa: an atomic hydrogen superconductor stabilized by sulfur
• First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
• Dissociation products and structures of solid H2S at strong compression
• Resonant and crossover phenomena in a multiband superconductor tuning the chemical potential near a band edge
• Optimum inhomogeneity of local lattice distortions in La2CuO4+y
• A model for the phase separation controlled by doping and the internal chemical pressure in different cuprate superconductors
• Feshbach resonances and mesoscopic phase separation near a quantum critical point in multiband FeAs-based superconductors
• Superconductivity above the lowest Earth temperature in pressurized sulfur hydride
• Band-edge BCS-BEC crossover in a two-band superconductor: physical properties and detection parameters
• Non-BCS thermodynamic properties of H2S superconductor
• Intrinsic arrested nanoscale phase separation near a topological Lifshitz transition in strongly correlated two-band metals
• Retardation effects and the Coulomb pseudopotential in the theory of superconductivity
• Study of temperature dependent atomic correlations in MgB${}_2$
• The role of thermal disorder for magnetism and the $\alpha -\gamma$ transition in Cerium; Results from density-functional theory
• Electronic structure and properties of superconducting materials with simple Fermi surfaces

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