Time-dependent density-functional approach for exciton binding energies

نویسندگان

  • V. Turkowski
  • A. Leonardo
  • C. A. Ullrich
چکیده

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 exchangecorrelation XC effects. We calculate exciton binding energies in several direct-gap semiconductors using exchange-only and model XC kernels.

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تاریخ انتشار 2009