TY - JOUR
KW - paper
AU - Stefan Albrecht
AU - G Onida
AU - Lucia Reining
AB - We report an ab initio calculation of the binding energies and the nature of the excitonic states in the near-gap absorption spectrum of a real solid, Li2O. We calculate the ground-state properties using density-functional theory together with soft pseudopotentials. Applying Hedin\textquoterights GW approximation for the self-energy corrections to the band structure, we determine the minimal gap about 1 eV above the measured absorption onset. Finally, we obtain agreement with experiment by solving an effective two-particle Schrodinger equation for the electron-hole pairs.
BT - Phys. Rev. B
CY - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
DA - APR 15
M1 - 16
N2 - We report an ab initio calculation of the binding energies and the nature of the excitonic states in the near-gap absorption spectrum of a real solid, Li2O. We calculate the ground-state properties using density-functional theory together with soft pseudopotentials. Applying Hedin\textquoterights GW approximation for the self-energy corrections to the band structure, we determine the minimal gap about 1 eV above the measured absorption onset. Finally, we obtain agreement with experiment by solving an effective two-particle Schrodinger equation for the electron-hole pairs.
PB - AMERICAN PHYSICAL SOC
PP - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
PY - 1997
SP - 10278
EP - 10281
T2 - Phys. Rev. B
TI - Ab initio calculation of the quasiparticle spectrum and excitonic effects in Li2O
VL - 55
ER -