Optics

What do we calculate?

• Linear optics (dielectric functions, absorption spectra, cross sections, reflectance anisotropy, surface differential reflectivity, birefringence, chirality).
• Second Harmonic Generation (SHG).

Which systems do we study?

• Surfaces, dots, wires, nanotubes, molecules (isolated and in environment).
• Bulk materials (metals, semiconductors, insulators).
• Amorphous. Liquids.

Methodology

• DFT, GW, BSE, TDDFT, Tight Binding, etc.
• Codes: abinit, exc, yambo, quantum espresso, cpmd, fhi96, octopus, dp

How to use ETSF services?

• Introduction Package for New Users.

Beamline Coordinator

Dr. Olivia Pulci

University of Rome Tor Vergata, Rome, Italy
Olivia [dot] Pulci [at] roma2 [dot] infn [dot] it

References

• Ab Initio Calculation of Excitonic Effects in the Optical Spectra of Semiconductors,
  S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. 80, 4510 (1998).
• Excitonic Effects in Solids Described by Time-Dependent Density-Functional Theory ,
  L. Reining, V. Olevano, A. Rubio, G. Onida, Phys. Rev. Lett. 88, 066404 (2002).
• Strain influence on valence-band ordering and excitons in ZnO: an ab-initio study ,
  A. Schleife, C. Rödl, F. fuchs, J. Furthmüller, F. Bechstedt, Appl. Phys. Lett. 91, 241915 (2007).
• Reflectance Anisotropy Spectra of the diamond (100) 2x1 surface: evidence of strongly bound surface-state excitons ,
  M. Palummo, O. Pulci, R. Del Sole, A. Marini, M. Schwitters, S. R. Haines, K. H. Williams, D. S. Martin, P. Weightman, J. E. Butler, Phys. Rev. Lett. 94, 087404 (2005).
• Excitons in Silicon Nanocrystallites: the Nature of Luminescence,
  E. Luppi, F. Iori, R. Magri, O. Pulci, R. Del Sole, S. Ossicini, E. Degoli, V. Olevano, Phys. Rev. B 75, 033303 (2007).
• Excitation Energies and Radiative Lifetimes of Ge_1-xSi_x Nanocrystals: Alloying Versus Confinement Effects,
  H.-Ch. Weissker, J. Furthmüller, and F. Bechstedt, Phys. Rev. Lett. 90, 085501 (2003).
• Ab initio calculations of many-body effects in liquids: the electronic excitations of water,
  V. Garbuio, M. Cascella, L. Reining, R. Del Sole, and O. Pulci, Phys. Rev. Lett. 97, 137402 (2006).
• Excitons in Boron Nitride Nanotubes: Dimensionality Effects,
  Ludger Wirtz, Andrea Marini, and Angel Rubio, Phys. Rev. Lett. 96, 126104 (2006).
• Second-harmonic polarizability including electron-hole attraction from bandstructure theory ,
  R. Leitsmann, W.G. Schmidt, P.H. Hahn, F. Bechstedt, Phys. Rev. B 71, 195209 (2005).
• Origin of the Optical Contrast in Phase-Change Materials ,
  Wojciech Welnic, Silvana Botti, Lucia Reining, and Matthias Wuttig, Phys. Rev. Lett. 98, 236403 (2007).