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Applied Physics Letters
Article . 2025 . Peer-reviewed
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2024
License: arXiv Non-Exclusive Distribution
Data sources: Datacite
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Origin of oxygen partial pressure-dependent conductivity in SrTiO3

Authors: Zenghua Cai; Chunlan Ma;

Origin of oxygen partial pressure-dependent conductivity in SrTiO3

Abstract

SrTiO3 (STO) displays a broad spectrum of physical properties, including superconductivity, ferroelectricity, and photoconductivity, making it a standout semiconductor material. Despite extensive research, the oxygen partial pressure-dependent conductivity in STO has remained elusive. This study leverages first-principles calculations and systematically investigates the intrinsic defect properties of STO. The results reveal that VO, VSr, and TiSr are the dominant intrinsic defects, influencing STO's conductivity under varying O chemical potentials (oxygen partial pressures). Under O-poor condition, VO is the predominant donor, while VSr is the main acceptor. As the oxygen pressure increases, TiSr emerges as a critical donor defect under O-rich conditions, significantly affecting the conductivity. Additionally, the study elucidates the abnormal phenomenon where VTi, typically an acceptor, exhibits donor-like behavior due to the formation of O-trimer. This work offers a comprehensive understanding of how intrinsic defects tune the Fermi level, thereby altering STO's conductivity from metallic to n-type and eventually to p-type across different O chemical potentials. These insights resolve the long-standing issue of oxygen partial pressure-dependent conductivity and explain the observed metallic conductivity in oxygen-deficient STO.

Related Organizations
Keywords

Computational Physics, Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Computational Physics (physics.comp-ph)

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
Green