Ab initio modelling of photodetectors based on van der Waals heterostructures


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Date

2022

Publication Type

Working Paper

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yes

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Abstract

Two-dimensional (2-D) materials, especially transition metal dichalcogenides (TMDCs), have attracted great attention due to their unique properties and the vast possibility they offer when combined into van der Waals heterostructures (vdWHs), for example in optoelectronic applications. Although various photodetectors based on TMDC vdWHs have been successfully synthesized, an \textit{ab initio} simulation framework dedicated to such devices is still missing. In this work, we investigate two photodetector designs based on MoSe\textsubscript{2}-WSe\textsubscript{2} vdWHs through a recently developed approach combining density functional theory and quantum transport calculations. Geometries with a partial and total TMDC overlap are considered, with a p-doped (n-doped) left (right) extension and an intrinsic region in the middle. We show that the partial overlap structure supports a non-zero photocurrent, even without a built-in potential, contrary to the full overlap structure.

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published

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Publisher

ETH Zurich, Integrated Systems Laboratory

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Subject

quantum transport; van der Waals heterostructure; density functional theory; optoelectronic device; photodetector

Organisational unit

03925 - Luisier, Mathieu / Luisier, Mathieu check_circle
02636 - Institut für Integrierte Systeme / Integrated Systems Laboratory

Notes

Submitted to Solid-State Electronics

Funding

885893 - Investigation of carrier multiplication in van der Waals heterostructures for highly efficient solar cells (EC)

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