Theoretical investigation of charge transport in germanium doped phosphorene nanoribons using DFT + NEGF

TL;DR

This paper theoretically investigates charge transport in novel germanium-doped phosphorene nanoribbons using DFT and NEGF, revealing their electronic properties and potential for solar cell applications.

Contribution

It introduces new 2D nanoribbon structures with germanium doping and analyzes their electronic transport properties using advanced computational methods.

Findings

Charge transport occurs at bias voltages around 1 V.

Structures have a bandgap of about 0.7 eV suitable for visible light absorption.

Orbital distribution is influenced by electrode interactions.

Abstract

New two diemensional structures nanoribbon including phosphorus and germanium atoms are introduced for the nanoelectronic applications. Under various bias voltages, the electronic transport in the systems have been studied within the noneqilibrium Green's function formalism. The $I-V$ characteristics have been extracted. DOS and $T(E,V_{bias})$ have been investigated and show that the charge transport occurs when the bias voltage reaches about 1 \textit{V}. The calculated MPSH shows that the spatial distribution of orbital levels has been affected by the electrodes. The studied structures have a bandgap of about 0.7 \textit{eV} which absorbs light in the visible range and thus could be an interesting contender for solar cells applications.