Pressure-Enhanced Photocurrent in One-Dimensional SbSI via Lone-Pair Electron Reconfiguration

Understanding the relationships between the local structures and physical properties of low-dimensional ferroelectrics is of both fundamental and practical importance. Here, pressure-induced enhancement in the photocurrent of SbSI is observed by using pressure to regulate the lone-pair electrons (LPEs). The reconfiguration of LPEs under pressure leads to the inversion symmetry broken in the crystal structure and an optimum bandgap according to the Shockley-Queisser limit. The increased polarization caused by the stereochemical expression of LPEs results in a significantly enhanced photocurrent at 14 GPa. Our research enriches the foundational understanding of structure-property relationships by regulating the stereochemical role of LPEs and offers a distinctive approach to the design of ferroelectric-photovoltaic materials.

Automated summary

This research observed an enhancement in the photocurrent of SbSI by regulating the lone-pair electrons (LPEs) through pressure. The reconfiguration of LPEs under pressure disrupted the inversion symmetry in the crystal structure and resulted in an optimum bandgap. The increased polarization caused by the stereochemical expression of LPEs led to a significant enhancement in the photocurrent at 14 GPa. This study enriches the understanding of structure-property relationships and provides a unique approach to designing ferroelectric-photovoltaic materials.