Abstract
How can a paper on the Green’s function method applied to surface lattice dynamics fit to a workshop on “Ab-initio calculation of phonon spectra”? We think that the answer comes out from the very essence of the method. All what happens at the free surface of a solid, such as the change of force constants, of atomic equilibrium positions, of electronic structure, is due to intrinsic properties of the bulk Hamiltonian manifesting themselves through the symmetry breaking. Thus a full knowledge of the dynamical structure of the bulk, regardless whether obtained ab-initio or in a phenomenological way, should be sufficient to account for all the surface intrinsic dynamical properties. In the Green’s function (GF) method applied to surface problems the bulk dynamical structure is the basic ingredient, whereas the perturbation of an intrinsic surface, induced by the symmetry breaking, turns out to be fully described by the corresponding change in the translational invariance (TI) and rotational invariance (RI) sum rules.
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Benedek, G., Miglio, L. (1983). Green’s Function Calculation of Surface Phonons in Ionic Crystals. In: Devreese, J.T., Van Doren, V.E., Van Camp, P.E. (eds) AB Initio Calculation of Phonon Spectra. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-3563-4_11
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