Pressure effects on the electronic structure, phonons, and superconductivity of noncentrosymmetric ThCoC2

Abstract

The electronic structure, phonons, electron-phonon coupling, and superconductivity are theoretically studied in noncentrosymmetric superconductor ThCoC${}_2$ as a function of pressure, in the pressure range 0 - 20 GPa. We found that the electronic band splitting induced by the spin-orbit coupling is enhanced under pressure. In spite of the overall stiffening of the crystal lattice, the electron-phonon coupling constant $\lambda$ increases with pressure, from 0.583 at 0 GPa to 0.652 at 20 GPa. If the isotropic Eliashberg electron-phonon coupling theory is used to simulate the effect on the critical temperature $T_c$, such an increase in $\lambda$ results in a substantial increase of $T_c$ from 2.5~K at 0 GPa to 4~K at 20 GPa. This shows that examining the effect of pressure offers a chance to resolve the pairing mechanism in ThCoC${}_2$.

arXiv comment12 pages, 15 figures + supplemental material. Accepted in Physical Review B. ver 2 with corrected formula

References in corpus (13)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Phonons and related properties of extended systems from density-functional perturbation theory
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Electron-phonon interactions from first principles
• Superconductivity and spin-orbit coupling in non-centrosymmetric materials: a review
• FermiSurfer: Fermi-surface viewer providing multiple representation schemes
• CePt3Si: an unconventional superconductor without inversion center
• Evidence of Nodal Line in the Superconducting Gap Symmetry of Noncentrosymmetric ThCoC${}_2$
• Pressure effects on the unconventional superconductivity of the noncentrosymmetric LaNiC2
• Origins of low- and high-pressure discontinuities of $T_c$ in niobium
• Strong-coupling superconductivity of SrIr2 and SrRh2: Phonon engineering of metallic Ir and Rh
• Electronic structure, electron-phonon coupling and superconductivity in noncentrosymmetric ThCoC2 from ab initio calculations
• The effect of Ni doping on the electronic structure and superconductivity in the noncentrosymmetric ThCoC2

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