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May 8, 2026Inorganic Chemistry0 citations

Pressure-Induced Evolution of Structure and Conduction Mechanism Transition in Ba 0.5 Sr 0.5 TiO 3

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ZYZifan YuZXZhenfang XingYLYue Lin

Key Points

  • This research aims to explore how pressure affects the structural and conductive properties of Ba0.5Sr0.5TiO3.
  • Utilized DFT calculations to investigate band gap changes and electronic conductivity under pressure.
  • Established correlations between pressure-induced structural changes and conductivity enhancements.
  • Band gap narrowing correlates with increased electronic conductivity under applied pressure.
  • Demonstrated a clear relationship between pressure, structure, and electrical properties in BST.

Abstract

. DFT calculations confirm that the band gap narrowing accounts for the enhanced electronic conductivity. This work establishes a clear pressure-driven structure-property correlation for BST, deepens the understanding of the high-pressure response mechanism of perovskite ferroelectrics, and provides experimental and theoretical insights for designing high-pressure-tolerant ferroelectric devices.

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Cite This Study

Yu et al. (2026) studied this question.

synapsesocial.com/papers/69fd7ee0bfa21ec5bbf07218https://doi.org/10.1021/acs.inorgchem.6c00413
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