Modeling of MoS2/Si heterostructure to study charge transfer dynamics

Here, we synthesized a MoS₂/Si heterojunction device using a scalable approach involving DC sputtering copuled with sulfurization. The observed current-voltage characteristics unequivocally indicate a rectifying behavior at MoS₂/Si heterointerface. To quantitatively assess the carrier dynamics, a comprehensive analysis utilizing thermionic emission and Landauer transport formalism model was employed. The spatial variation in current across the MoS₂/Si devices suggests a potential influence of MoS₂'s in-plane series resistance. Furthermore, the electrical behavior of the device is found to be temperature-dependent, with higher temperatures resulting in enhanced conductivity attributed to an increase in thermally generated charge carriers. As temperature rises, the Landauer current model observes an increased ratio of density of states to carrier injection rate, along with other temperature-dependent terms. Meanwhile, the thermionic current model maintains a fixed effective value for its material-dependent term, the Richardson constant, irrespective of temperature changes. Therefore, a comparative analysis between thermionic emission and Landauer transport formalism reveals that the conventional thermionic emission model better aligns with experimentally observed leakage current in reverse bias, showcasing a minimal barrier height at the heterojunction. This comprehensive investigation provides valuable insights into the charge transfer mechanisms at the MoS₂/Si interface, opening avenues for its potential innovative applications in electronic devices.