Non-linear optical susceptibilities and electro-optic tensor of some ferroelectrics: first principle study


Cabuk S.

JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS, cilt.11, ss.280-288, 2009 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 11 Konu: 3
  • Basım Tarihi: 2009
  • Dergi Adı: JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS
  • Sayfa Sayısı: ss.280-288

Özet

The linear and nonlinear optical properties of some ferroelectrics (BaTiO3, KNbO3, LiTaO3 and LiNbO3) are studied by density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle calculations without the scissor approximation. Specially, we present calculations of the frequency- dependent complex dielectric function epsilon(omega) and the second harmonic generation response coefficient X-(2) (-2 omega, omega, omega) over a large frequency range in tetragonal and rhombohedral phases. The electronic linear electrooptic susceptibility X-(2) (-omega, omega, 0) is also evaluated below the band gap. These results are based on a series of the LIDA calculation using DFT. Results for X-(2) (-omega, omega, 0) are in agreement with experiment below band gap and those for X-(2) (-2 omega, omega, omega) are compared with experimental data where available.