Theoretical calculation of transport properties of oxide material using narrow band model

TL;DR

This paper presents a theoretical study of how resistivity and Seebeck coefficient vary with temperature in oxide materials, using a narrow band model to understand thermoelectric and superconducting phases.

Contribution

It introduces a theoretical framework based on the narrow band model to calculate transport properties and phase diagrams of oxide materials with oxygen deficiency.

Findings

Resistivity and Seebeck coefficient depend on band-filling and band width ratio.

Phase diagrams for thermoelectric and superconducting states are mapped.

Transport properties vary with structural and electronic parameters.

Abstract

We report about the results of theoretical calculations of temperature dependence of resistivity ($\rho$) and Seebeck coefficient ($S$) for thermoelectric (TE) and superconductivity (SC) phases by arithmetic equations based on narrow band model with oxygen deficient structure, as the functions of band-filling degree ($F$), and band width ratio of electron and spin states ($W$\sigma/$W$D). The phase diagrams of TE and SC states, and boundary were imaged to the properties of $\rho$ and $S$ as a function of $F$ and $W$\sigma/$W$D.