Quantum Transport Characteristics of Lateral pn-Junction of Single Layer TiS3

Using density functional theory and nonequilibrium Greens functions-based methods we investigated the electronic and transport properties of monolayer TiS3 pn-junction. We constructed a lateral pn-junction in monolayer TiS3 by using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 pn-junction. In addition, spin dependent current-voltage characteristics of the constructed TiS3 pn-junction were analyzed. Important device characteristics were found such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 pn-junction. These prominent conduction properties of TiS3 pn-junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material.