Regulate the direct-indirect electronic band gap transition by electron-phonon interaction in BaSnO3

TL;DR

This study investigates how Sr-doping in BaSnO3 affects its electronic band gap and electron-phonon interactions, combining experimental measurements with density functional theory analysis.

Contribution

It provides new insights into the modulation of band gap transition by electron-phonon interaction through Sr-doping in BaSnO3.

Findings

Sr-doping influences the indirect band gap of BaSnO3.

Electron-phonon interaction is significantly affected by Sr-doping.

Lattice remains cubic despite doping, but shows dynamic distortion at low temperature.

Abstract

The neutron powder diffraction, specific heat, thermal conductivity, and Raman scattering measurements were presented to study the interplays of lattice, phonons and electrons of the Sr-doping Ba1-xSrxSnO3 (x was less than or equal to 0.1). Although Ba1-xSrxSnO3 kept the cubic lattice, the Raman spectra suggested a dynamic distortion at low temperature. The density functional theory was applied to analyze the electronic structures and phonon dispersions of Ba1-xSrxSnO3(x = 0, 0.0125), and the behaviors of electron bands around Fermi levels were discussed. According to the experimental and theoretical results, the Sr-doping played a significant role in tuning the indirect band gap of BaSnO3 and influenced the electron-phonon interaction.