The Effects of Polaron on the Transport Properties of Anatase TiO2
Annamaria Bupu and Muhammad Aziz Majidi
Department of Physics, Faculty of Mathematics and Natural Sciences (FMIPA), Universitas Indonesia, Depok 16424, Indonesia
Abstract
Anatase TiO2 is one of the most attractive transition metal oxides due to its properties and its potential applications. However, transport properties of this material is still need to be explored. Recent experimental study on this materials shows that carrier concentrations and temperature affects the transport properties of anatase TiO2, but the mechanism that govern the properties have not been explained yet. Thus, in this work we present a theoretical study which investigates the transport properties of anatase TiO2 in order to model the previous experimental results. We hypothesize that electron-phonon coupling with intermediate coupling constant (large polaron) play a role on the transport properties of this material. We use Holstein model of electron-phonon interactions which then solve within Dynamical Mean Field Theory (DMFT). In this model, we tune the electron-phonon coupling constant into a value that represent the large polaron then calculate the transport properties, that is, the temperature dependent resistivity of anatase TiO2.
Keywords: anatase TiO2; large polaron; Holstein Model; DMFT
Topic: Physics