<i>Ab initio</i>lattice dynamics and electron-phonon coupling of Bi(111)
<i>Ab initio</i>lattice dynamics and electron-phonon coupling of Bi(111)
We present a comprehensive ab initio study of structural, electronic, lattice dynamical and electron-phonon coupling properties of the Bi(111) surface within density functional perturbation theory. Relativistic corrections due to spin-orbit coupling are consistently taken into account. As calculations are carried out in a periodic slab geometry, special attention is given …