Surface phonons and dipole activity of Si(111)2×1 fromabinitiocalculations

Abstract

We present a first-principles linear-response study of the phonon spectrum and dipole activity of the Si(111)2 x 1 surface. Our results are in good agreement with the experimental He-scattering results for the acoustic modes, as well as the electron-energy-loss data for the optical modes. We clarify a current controversy on the assignment of the electron-energy-loss peak at approximately 56 meV. We find that the dominant contribution to the loss peak is anisotropic and arises from a longitudinal-optical vibration of the surface chains. However, a small but non-negligible isotropic contribution comes from subsurface modes polarized perpendicular to the surface.

Keywords

PhononIsotropyPhysicsAnisotropyDipoleCondensed matter physicsSurface phononSurface (topology)ElectronScatteringPerpendicularElectron energy loss spectroscopyAtomic physicsOpticsQuantum mechanics

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Publication Info

Year: 1991
Type: article
Volume: 43
Issue: 11
Pages: 8930-8933
Citations: 27
Access: Closed

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APA Style

                            
                                
                                    Francesco Ancilotto, 
                                
                                    Annabella Selloni, 
                                
                                    Wanda Andreoni
                                
                                et al.
                            
                            (1991). 
                            Surface phonons and dipole activity of Si(111)2×1 from<i>ab</i><i>initio</i>calculations. 
                            Physical review. B, Condensed matter
                            , 43
                            (11)
                            , 8930-8933.
                            https://doi.org/10.1103/physrevb.43.8930
                        

Identifiers

DOI: 10.1103/physrevb.43.8930

Surface phonons and dipole activity of Si(111)2×1 from<i>ab</i><i>initio</i>calculations