  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.
