Negative Differential Resistance in MoS₂ Esaki Diodes

Two dimensional MoS₂ is a semiconducting system valued for its potential application as a programmable material. In addition to its direct bandgap in a single layer, an external electric field allows for interlayer band-to-band tunneling in bilayer configuration, which raises the prospect of applications in nanocircuitry. Using a first principles approach via DFT+NEGF, we probe the electronic properties of MoS₂ p-i-n junctions. We show both the IV characteristics of our junctions as well as the corresponding partial density of states at biases of interest. By comparing the band alignment of the electrodes and the transmission of our junction, we establish a criterion for band to band tunneling. Finally, we discuss mitigating edge effects on electronic structure and the possible applications of our p-i-n junctions.