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${}_2$.

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

References in corpus (5)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• 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