Abstract
Absorption spectra, exciton energy levels and wave functions for solid Ne and Ar have been calculated from first principles using many-body techniques. Electronic band structures of Ne and Ar were calculated using the approximation. Exciton states were calculated by diagonalizing an exciton Hamiltonian, derived from the particle-hole Green function, whose equation of motion is the Bethe-Salpeter equation. Singlet and triplet exciton series up to principal quantum number for Ne and for Ar were obtained. Binding energies and longitudinal-transverse splittings of excitons are in excellent agreement with experiment. Plots of correlated electron-hole wave functions show that the electron-hole complex is delocalized over approximately in solid Ar.
- Received 4 January 2005
DOI:https://doi.org/10.1103/PhysRevB.72.035127
©2005 American Physical Society