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Quantum Chemistry

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

arXiv
Authors: Binru Zhao, Qing Huang, Jiangtao Wu, Jinlong Jiao, Mingfang Shu, Gaoting Lin, Qiyang Sun, Ranran Zhang, Masato Hagihala, Shuki Torri, Guohua Wang, Qingyong Ren, Chen Li, Zhe Qu, Haidong Zhou, Jie Ma

Year

2021

Paper ID

6864

Status

Preprint

Abstract Read

~2 min

Abstract Words

107

Citations

N/A

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-xSrxSnO3x = 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.

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  • The neutron powder diffraction, specific heat, thermal conductivity, and Raman scattering measurements were presented to study the interplays of lattice, phonons and electrons...

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2111.11180 [2] arXiv https://arxiv.org/abs/2111.11180 [3] Publisher https://arxiv.org/abs/2111.11180

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