Theoretical investigation of phosphorene for nanoelectronicapplications
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Date
2023
Authors
FARAH Seyf El Islam
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Abstract
In this work we present a new broadband mid-Infrared (mid-IR) InGaZnO(IGZO)
thin-film phototransistor (TF PT) based on both Black
Phosphorus (BP) capping layer incorporating gold (Au) intermediate ultrathinfilm.
The electronic and optical properties of bulk BP are carried outusing density functional theory (DFT) computations, including Perdew-BurkeErnzerhof
Generalized Gradient Approximation (PBE-GGA) and the screenedhybrid (YS-PBE0) functionals
with van der Waals correction.
It is found thatBP
exhibits interesting performances for mid-IR optoelectronic applications,at room temperature. To enhance the absorption of the BP material forbroadband mid-IR spectrum, a new strategy is proposed by optimizing thesensitive layer using finite-difference time-domain (FDTD) modelingand particle swarm optimization (PSO) approaches. The photoresponseproperties of the optimized broadband mid-IR IGZO TF PT with BP/Au/BPcapping layer are carefully analyzed. It is found that the proposed deviceshows high photodetection performances with a high current ratio exceeding180 dB over a wide voltage window. Besides, it is revealed that the introducedultrathin Au layer within BP enhances the absorbance capability over the midIR spectrum,
which significantly improves the performance of the broadbandmid-IR
sensor. Therefore, the proposed approach based on combining DFTanalysis with FDTD simulation supported by PSO optimization opens up anew strategy for the development of high-performance optoelectronic devices.
In second part, a new high-performance broadband Infrared Optically
Controlled Graphene Field-Effect Transistor (IR–OC–GFET) using
strained black phosphorus sensing gate is proposed and investigated. The
impact of the hydrostatic pressure on the optoelectronic properties of bulk
Black Phosphorus (BP) is studied using density functional theory (DFT)
calculations, including Perdew-Burke-Ernzerhof Generalized Gradient
Approximation (PBE-GGA) and the screened hybrid (YS-PBE0) function
with van der Waals correction. It is revealed that the electronic and the optical
properties of BP were substantially affected by the pressure effects, where the
band gap energy decreases with increasing the hydrostatic pressure.
The phototransistor drain current is calculated by self-consistently solving the
Schrödinger/Poisson equations based on Non-Equilibrium Green's
function (NEGF) approach. The impact of strained BP sensing gate material
on the device sensing properties is investigated. It is found that the proposed
device with strained sensing gate provides enhanced optical performances
over the middle infrared (Mid-IR) spectral band, making it a new potential
alternative photoreceiver for chip-level optical communications.