Effects of high pressure on the lattice structure and electrical transport properties of BiOI

To reveal the pressure effects on BiOX semiconductors, we performed in-situ Raman spectroscopy and electrical transport measurements on BiOI up to 26.1 GPa and 19.2 GPa. BiOI showed good structural stability, while the electron conduction characteristics maintained dominance throughout the pressure range. The influence of grain boundary conduction disappeared at pressures above 9.2 GPa. With pressure elevation, the pressure-induced lattice fragmentation and grain refinement introduced a large number of relevant levels in the energy gap and resulted in a significant increase in the conductivity of BiOI under compression. The conductivity increased by 106 at 19.2 GPa from the initial value and maintained an increase of 102 after depressurization until ambient conditions were attained. At the same time, the space charge polarization of the crystal interface layer became weaker with pressure elevation resulting in a decrease in the relative permittivity of BiOI. The calculation results of the complex permittivity showed that the frequency of orientation polarization response decreases with pressure elevation, and the complex permittivity becomes constant in the high-frequency region. Our work proves that pressure could significantly increase the carrier concentration and mobility, thus effectively improving the conductivity of BiOX semiconductors.