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<p>Epitaxial BiFeO<sub>3</sub> (BFO) thin films grown on SrTiO<sub>3</sub> (001) and Nb: SrTiO<sub>3</sub> (001) substrates were subjected to post-deposition sulfurization by sulfur vapor at 550&#xa0;°C. This leads to a drastic change of bandgap from 2.68 to 1.72&#xa0;eV, accompanied with an increase in the absorption coefficient of the film. The energy level diagram was determined for the films before and after sulfurization using Kelvin probe and ambient pressure photoemission spectroscopy. In addition, surface photovoltage (SPV) measurements indicate that due to the reduction of the bandgap the photovoltaic response is drastically improved after sulfurization. Ab initio Density Functional Theory calculations predict that substituting O by S in BFO leads to a reduction of the bandgap. However, sulfurization leads to a severe degradation of the quality of the films so that ferroelectricity and epitaxy are no longer present. Therefore, the structural nature of the sulfurized phase obtained is unknown. Still, these results highlight the potential of sulfur incorporation into oxides to achieve lower bandgap material.</p>

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Effect of post-sulfurization on BiFeO3 films

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月29日

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  • Thomas Fix,
  • Taketo Tsuchiyama,
  • Daniel Stoeffler,
  • Xavier Henning,
  • Rachmat Adhi Wibowo,
  • Mircea V. Rastei,
  • Aziz Dinia,
  • Abdelilah Slaoui,
  • Mutsumi Sugiyama

摘要

Epitaxial BiFeO3 (BFO) thin films grown on SrTiO3 (001) and Nb: SrTiO3 (001) substrates were subjected to post-deposition sulfurization by sulfur vapor at 550 °C. This leads to a drastic change of bandgap from 2.68 to 1.72 eV, accompanied with an increase in the absorption coefficient of the film. The energy level diagram was determined for the films before and after sulfurization using Kelvin probe and ambient pressure photoemission spectroscopy. In addition, surface photovoltage (SPV) measurements indicate that due to the reduction of the bandgap the photovoltaic response is drastically improved after sulfurization. Ab initio Density Functional Theory calculations predict that substituting O by S in BFO leads to a reduction of the bandgap. However, sulfurization leads to a severe degradation of the quality of the films so that ferroelectricity and epitaxy are no longer present. Therefore, the structural nature of the sulfurized phase obtained is unknown. Still, these results highlight the potential of sulfur incorporation into oxides to achieve lower bandgap material.