The Mott transition between the metallic and insulating paramagnetic phases of the layer perovski... more The Mott transition between the metallic and insulating paramagnetic phases of the layer perovskite Ca2 - xSrxRuO4 is analyzed within the Dynamical Mean Field Theory. To simulate the band narrowing caused by finite Ca doping concentrations, quasi-particle spectra appropriate for Sr2RuO4 are evaluated for increasing values of the on-site Coulomb energy U. At small U the planar geometry splits the
... F. Forstmann and V. Heine [Phys. Rev. Lett. 24, 1419 (1970)] [INSPEC];[CAS]; F. Forstmann and... more ... F. Forstmann and V. Heine [Phys. Rev. Lett. 24, 1419 (1970)] [INSPEC];[CAS]; F. Forstmann and JB Pendry, Z. Phys. 235, 75 (1970) [CAS]. BR Cooper and AJ Bennett [Phys. Rev. B 1, 4654 (1970)] [INSPEC]. L. Liebermann, J. Clinton, DM Edwards, and J. Mathon, Phys. Rev. ...
Previous calculations of the Ni d-band self-energy within the low-density approximation are impro... more Previous calculations of the Ni d-band self-energy within the low-density approximation are improved by considering correlations due to both hole-hole and electron-hole interactions. It is shown that these additional processes tend to reduce the satellite binding energy and enhance the narrowing of the d band. The exchange splitting is decreased only by a small amount from the value obtained in
Using density-functional theory we have determined the longitudinal second-harmonic response of v... more Using density-functional theory we have determined the longitudinal second-harmonic response of various simple-metal surfaces in the limit of small frequencies. The metal is described by the semi-infinite jellium model and the electron distributions in the absence and in the presence of the external field are calculated self-consistently using the local-density approximation. Previous theoretical estimates of the normal component of the
The recently observed blueshift of the surface plasmon of Ag with increasing parallel momentum an... more The recently observed blueshift of the surface plasmon of Ag with increasing parallel momentum and of the Mie resonance of small Ag particles with decreasing radius are discussed in terms of a model for the dynamical response of a two-component s-d electron system. In the case of flat Ag surfaces, the 5s conduction electrons are treated as a semi-infinite homogeneous
The time-dependent density functional approach is used to calculate the wave-vector dispersion of... more The time-dependent density functional approach is used to calculate the wave-vector dispersion of the surface plasmon of Ag. The 5s conduction electrons are treated as a semi-infinite homogeneous electron gas and the influence of the 4d electrons is described in terms of a polarizable medium. It is shown that the reduction of the s-d screening interaction in the surface region
A theory of the angular resolved photoemission from localized adsorbate orbitals is presented in ... more A theory of the angular resolved photoemission from localized adsorbate orbitals is presented in which the effects of the final state are discussed in detail. Numerical results show a strong dependence of the energy-resolved angular distribution on the symmetry of the bonding orbitals and on the geometry of the adsorption site.
The Mott transition between the metallic and insulating paramagnetic phases of the layer perovski... more The Mott transition between the metallic and insulating paramagnetic phases of the layer perovskite Ca2 - xSrxRuO4 is analyzed within the Dynamical Mean Field Theory. To simulate the band narrowing caused by finite Ca doping concentrations, quasi-particle spectra appropriate for Sr2RuO4 are evaluated for increasing values of the on-site Coulomb energy U. At small U the planar geometry splits the
... F. Forstmann and V. Heine [Phys. Rev. Lett. 24, 1419 (1970)] [INSPEC];[CAS]; F. Forstmann and... more ... F. Forstmann and V. Heine [Phys. Rev. Lett. 24, 1419 (1970)] [INSPEC];[CAS]; F. Forstmann and JB Pendry, Z. Phys. 235, 75 (1970) [CAS]. BR Cooper and AJ Bennett [Phys. Rev. B 1, 4654 (1970)] [INSPEC]. L. Liebermann, J. Clinton, DM Edwards, and J. Mathon, Phys. Rev. ...
Previous calculations of the Ni d-band self-energy within the low-density approximation are impro... more Previous calculations of the Ni d-band self-energy within the low-density approximation are improved by considering correlations due to both hole-hole and electron-hole interactions. It is shown that these additional processes tend to reduce the satellite binding energy and enhance the narrowing of the d band. The exchange splitting is decreased only by a small amount from the value obtained in
Using density-functional theory we have determined the longitudinal second-harmonic response of v... more Using density-functional theory we have determined the longitudinal second-harmonic response of various simple-metal surfaces in the limit of small frequencies. The metal is described by the semi-infinite jellium model and the electron distributions in the absence and in the presence of the external field are calculated self-consistently using the local-density approximation. Previous theoretical estimates of the normal component of the
The recently observed blueshift of the surface plasmon of Ag with increasing parallel momentum an... more The recently observed blueshift of the surface plasmon of Ag with increasing parallel momentum and of the Mie resonance of small Ag particles with decreasing radius are discussed in terms of a model for the dynamical response of a two-component s-d electron system. In the case of flat Ag surfaces, the 5s conduction electrons are treated as a semi-infinite homogeneous
The time-dependent density functional approach is used to calculate the wave-vector dispersion of... more The time-dependent density functional approach is used to calculate the wave-vector dispersion of the surface plasmon of Ag. The 5s conduction electrons are treated as a semi-infinite homogeneous electron gas and the influence of the 4d electrons is described in terms of a polarizable medium. It is shown that the reduction of the s-d screening interaction in the surface region
A theory of the angular resolved photoemission from localized adsorbate orbitals is presented in ... more A theory of the angular resolved photoemission from localized adsorbate orbitals is presented in which the effects of the final state are discussed in detail. Numerical results show a strong dependence of the energy-resolved angular distribution on the symmetry of the bonding orbitals and on the geometry of the adsorption site.
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