Temperature-dependent dielectric function of bulk SrTiO$_3$: Urbach tail, band edges, and excitonic effects

TL;DR

This study investigates how the dielectric function of bulk SrTiO$_3$ varies with temperature, revealing effects of structural phase transition on band edges, Urbach tail, and excitonic states through spectroscopic ellipsometry.

Contribution

It provides the first detailed temperature-dependent analysis of SrTiO$_3$'s dielectric function, including excitonic effects and phase transition influences, with experimental data compared to theoretical models.

Findings

Urbach tail exhibits unconventional temperature dependence near phase transition.

Indirect and Urbach edges are affected by structural phase change, direct edge remains stable.

Fundamental direct gap shows anomalous linear temperature dependence.

Abstract

We report the temperature-dependent complex dielectric function of pristine bulk SrTiO$_3$ between 4.2 and 300 K within the energy range of 0.6-6.5 eV determined by spectroscopic ellipsometry. Fundamental indirect and direct band-gap energies have been extracted and are discussed with regard to existing state-of-the-art theoretical calculations. Furthermore, the dielectric function around the fundamental direct gap is analyzed by considering excitonic states. The excitonic effects, including the Coulomb enhancement of the continuum, are characterized using an extension of the Elliott's formula considering both the real and imaginary parts of the dielectric function. The Urbach tail below the indirect edge shows an unconventional temperature-dependent behavior correlated to the microstructural changes near the structural phase transition around 105 K from the low-temperature tetragonal phase to the cubic phase. The temperature-dependent characterization reveals that the fundamental indirect edge as well as the Urbach tail are affected conspicuously by the structural phase transition while the fundamental direct edge is not. Moreover, the indirect edge follows Varshni's rule only in the cubic phase and the direct edge exhibits an anomalous linear increase with increasing temperature.