A non-fitting parameter theoretical model for the pressure-temperature-dependent bandgap energy of semiconductor materials

Abstract As the core components of equipment designed for detecting extreme environments, semiconductor materials typically encounter the dual challenges of extreme pressure and temperature during the service life. Bandgap energy, a crucial physical parameter of semiconductor materials, is particularly sensitive to pressure and temperature variations. Therefore, it is of significant importance to quantitatively characterize the influences of pressure and temperature on the bandgap energy. In this paper, a non-fitting theoretical model for the pressure-temperature-dependent bandgap energy of semiconductor materials is developed based on the force-heat equivalence energy density principle (Li’s principle of energy equivalence). This model characterizes the quantitative relationship among pressure, temperature, and bandgap energy through considering the equivalent contributions of external pressure work, thermal energy, and bandgap energy to electronic transitions. Furthermore, this model requires only three experimentally available bandgap values to predict bandgap energies at different pressure and temperature. The model’s predictions have achieved good agreement with 16 sets of all the available experimental data. This work provides a theoretical foundation for the performance evaluation and material design of semiconductors under varying pressure and temperature conditions, which is beneficial for expanding the application of semiconductor materials in extreme environments.