Full-relativistic calculations of the SrTiO3 carrier effective masses and complex dielectric function

We perform fully relativistic band-structure calculations for cubic SrTiO3, which are used to obtain carrier effective masses and the frequency behavior of its complex dielectric function epsilon(omega). The obtained values and anisotropy of the carrier effective masses are shown to be highly influenced by the relativistic contributions. In order to evaluate the static dielectric constant, the low-frequency behavior of epsilon(omega) is obtained by taking into account also the optical phonon contributions to the imaginary part of epsilon(omega), adopting a simplified classical oscillator dispersion model. It is found that the phonon contribution leads to about 240 times (at T=85 K) the value of the bare electronic contribution to the dielectric constant. The calculated temperature dependence of the dielectric constant is shown to be consistent with that observed in bulk SrTiO3 static permittivity measurements. (C) 2003 American Institute of Physics.