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

TL;DR

This study explores the electronic and transport properties of a monolayer TiS3 pn-junction, revealing key behaviors like negative differential resistance and rectification, with implications for nanoelectronic device design.

Contribution

The paper introduces a novel TiS3 pn-junction model with spin-dependent transport properties analyzed via DFT and NEGF methods.

Findings

Negative differential resistance observed

Rectifying diode behavior for spin currents

Significant electronic variability under bias

Abstract

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.