Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaO$_{0.5}$F$_{0.5}$BiS$_{2}$: Evidence for an electron-phonon interaction near the charge-density-wave instability

We discuss the electronic structure, lattice dynamics and electron-phonon interaction of newly discovered superconductor LaO $_{0.5}$ F $_{0.5}$ BiS $_{2}$ using density functional based calculations. A strong Fermi surface nesting at $k$ =( $π$ , $π$ ,0) suggests a proximity to charge density wave instability and leads to imaginary harmonic phonons at this $k$ point associated with in-plane displacements of S atoms. Total energy analysis resolves only a shallow double-well potential well preventing the appearance of static long-range order. Both harmonic and anharmonic contributions to electron-phonon coupling are evaluated and give a total coupling constant $λ ≃ 0.85$ prompting this material to be a conventional superconductor contrary to structurally similar FeAs materials.

Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaO $_{0.5}$ F $_{0.5}$ BiS $_{2}$ : Evidence for an electron-phonon interaction near the charge-density-wave instability

文献摘要

讨论

讲解博客

AI智能校验

Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaO $_{0.5}$ F $_{0.5}$ BiS $_{2}$ : Evidence for an electron-phonon interaction near the charge-density-wave instability

文献摘要

讨论

讲解博客

AI智能校验

Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaO0.50.5​F0.50.5​BiS22​: Evidence for an electron-phonon interaction near the charge-density-wave instability

文献摘要

讨论

|讲解博客

|AI智能校验

Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaO0.50.5​F0.50.5​BiS22​: Evidence for an electron-phonon interaction near the charge-density-wave instability

文献摘要

讨论

|讲解博客

|AI智能校验

Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaO $_{0.5}$ F $_{0.5}$ BiS $_{2}$ : Evidence for an electron-phonon interaction near the charge-density-wave instability

讲解博客

AI智能校验

Density-functional calculations of the electronic structure and lattice dynamics of superconducting LaO $_{0.5}$ F $_{0.5}$ BiS $_{2}$ : Evidence for an electron-phonon interaction near the charge-density-wave instability

讲解博客

AI智能校验