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<p>Native defects such as vacancies, interstitials, and antisites play a central role in shaping semiconducting oxides’ (SOs) electrical and optical behaviour, directly influencing their effectiveness in optoelectronic devices. This review combines theoretical and experimental perspectives to examine how these native defects affect a range of oxide semiconductors. By investigating first-principles calculations, we explore how common defects, such as oxygen vacancies (O), metal interstitials, and antisites, alter the electronic structure, including the band structure and density of states (DOS), affecting properties like conductivity and carrier concentration. Experimental studies complement these insights by demonstrating the tangible effects of defects on optical absorption, photocurrent, and device reliability, revealing how certain defects can enhance or hinder performance in applications such as self-powered solar blind UV photodetectors, neuromorphic devices and flexible electronics. By bridging computational predictions with real-world measurements, this review highlights the immense potential of defect engineering, deliberately controlling and manipulating native defects to optimize the optoelectronic properties of oxide semiconductors. We aim to provide a roadmap for future research, inspiring new strategies to harness and tailor native defects for next-generation electronic and photonic technologies.</p>

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Native Defects in Semiconducting Oxides: A Dual Approach of Theoretical Insights and Experimental Validation

  • 期刊论文

  • 发表日期：

    2025年11月7日

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  • PrajnaShree M.,
  • Shashi Pandey,
  • Ravi Trivedi,
  • Sudha D. Kamath,
  • Dinesh Negi,
  • Vikash Mishra

摘要

Native defects such as vacancies, interstitials, and antisites play a central role in shaping semiconducting oxides’ (SOs) electrical and optical behaviour, directly influencing their effectiveness in optoelectronic devices. This review combines theoretical and experimental perspectives to examine how these native defects affect a range of oxide semiconductors. By investigating first-principles calculations, we explore how common defects, such as oxygen vacancies (O), metal interstitials, and antisites, alter the electronic structure, including the band structure and density of states (DOS), affecting properties like conductivity and carrier concentration. Experimental studies complement these insights by demonstrating the tangible effects of defects on optical absorption, photocurrent, and device reliability, revealing how certain defects can enhance or hinder performance in applications such as self-powered solar blind UV photodetectors, neuromorphic devices and flexible electronics. By bridging computational predictions with real-world measurements, this review highlights the immense potential of defect engineering, deliberately controlling and manipulating native defects to optimize the optoelectronic properties of oxide semiconductors. We aim to provide a roadmap for future research, inspiring new strategies to harness and tailor native defects for next-generation electronic and photonic technologies.