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Abstract <p>Bismuth oxyselenide (Bi<sub>2</sub>O<sub>2</sub>Se), a novel quasi-two-dimensional charge-carrying semiconductor, is recognized as one of the most promising emerging platforms for next-generation semiconductor devices. Recent advancements in the development of diverse Bi<sub>2</sub>O<sub>2</sub>Se heterojunctions have unveiled extensive potential applications in both electronics and optoelectronics. However, achieving an in-depth understanding of band alignment and particularly interface dynamics remains a significant challenge. In this study, we conduct a comprehensive experimental investigation into band alignment utilizing high-resolution X-ray photoelectron spectroscopy (HRXPS), while also thoroughly discussing the properties of interface states. Our findings reveal that ultrathin films of Bi<sub>2</sub>O<sub>2</sub>Se grown on SrTiO<sub>3</sub> (with TiO<sub>2</sub> (001) termination) exhibit Type-I (straddling gap) band alignment characterized by a valence band offset (VBO) of approximately 1.77 ± 0.04&#xa0;eV and a conduction band offset (CBO) around 0.68 ± 0.04&#xa0;eV. Notably, when accounting for the influence of interface states, the bands at the interface display a herringbone configuration due to substantial built-in electric fields, which markedly deviate from conventional band alignments. Thus, our results provide valuable insights for advancing high-efficiency electronic and optoelectronic devices, particularly those where charge transfer is highly sensitive to interface states.</p> Graphical Abstract <p></p>

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In-depth understanding of the band alignment and interface states scenario in Bi2O2Se/SrTiO3 ultrathin heterojunction

  • 期刊论文

  • 发表日期：

    2025年1月21日

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  • Ke Zhang,
  • Yu-Sen Feng,
  • Lei Hao,
  • Jing Mi,
  • Miao Du,
  • Ming-Hui Xu,
  • Yan Zhao,
  • Jian-Ping Meng,
  • Liang Qiao

摘要

Abstract

Bismuth oxyselenide (Bi2O2Se), a novel quasi-two-dimensional charge-carrying semiconductor, is recognized as one of the most promising emerging platforms for next-generation semiconductor devices. Recent advancements in the development of diverse Bi2O2Se heterojunctions have unveiled extensive potential applications in both electronics and optoelectronics. However, achieving an in-depth understanding of band alignment and particularly interface dynamics remains a significant challenge. In this study, we conduct a comprehensive experimental investigation into band alignment utilizing high-resolution X-ray photoelectron spectroscopy (HRXPS), while also thoroughly discussing the properties of interface states. Our findings reveal that ultrathin films of Bi2O2Se grown on SrTiO3 (with TiO2 (001) termination) exhibit Type-I (straddling gap) band alignment characterized by a valence band offset (VBO) of approximately 1.77 ± 0.04 eV and a conduction band offset (CBO) around 0.68 ± 0.04 eV. Notably, when accounting for the influence of interface states, the bands at the interface display a herringbone configuration due to substantial built-in electric fields, which markedly deviate from conventional band alignments. Thus, our results provide valuable insights for advancing high-efficiency electronic and optoelectronic devices, particularly those where charge transfer is highly sensitive to interface states.

Graphical Abstract