Polarization-Based Calculation of the Dielectric Tensor of Polar Crystals

  title={Polarization-Based Calculation of the Dielectric Tensor of Polar Crystals},
  author={Fabio Bernardini and Vincenzo Fiorentini},
re or. s es e The modern quantum theory of polarization in di electrics has been formulated only in recent years [1 This development has opened a new era in the first pr ciples theory of ferroelectricity and pyroelectricity [2]. The new theory has been used successfully to calcula in a well defined and computationally efficient way, the macroscopic polarization changes induced by pertu bations other than an electric field. Examples of suc perturbations are, e.g., lattice vibrations [2… CONTINUE READING