Time-dependent density-functional approach for exciton binding energies
Abbreviated Journal Title
Phys. Rev. B
COEFFICIENT; CRYSTALS; LIFETIME; SYSTEMS; CDS; Physics, Condensed Matter
Optical processes in insulators and semiconductors, including excitonic effects, can be described in principle exactly using time-dependent density-functional theory (TDDFT). Starting from a linearization of the TDDFT semiconductor Bloch equations in a two-band model, we derive a simple formalism for calculating exciton binding energies. This formalism leads to a generalization of the standard Wannier equation for excitons, featuring a nonlocal effective electron-hole interaction determined by long-range and dynamical exchange-correlation (XC) effects. We calculate exciton binding energies in several direct-gap semiconductors using exchange-only and model XC kernels.
Physical Review B
"Time-dependent density-functional approach for exciton binding energies" (2009). Faculty Bibliography 2000s. 2241.