Electron-beam-induced adatom-vacancy-complexes in mono- and bilayer phosphorene

Fuente: arXiv
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Main Authors: Speckmann, Carsten, Angeletti, Andrea, Kývala, Lukáš, Lamprecht, David, Herterich, Felix, Mangler, Clemens, Filipovic, Lado, Dellago, Christoph, Franchini, Cesare, Kotakoski, Jani
Format: Preprint
Published: 2024
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author Speckmann, Carsten
Angeletti, Andrea
Kývala, Lukáš
Lamprecht, David
Herterich, Felix
Mangler, Clemens
Filipovic, Lado
Dellago, Christoph
Franchini, Cesare
Kotakoski, Jani
author_facet Speckmann, Carsten
Angeletti, Andrea
Kývala, Lukáš
Lamprecht, David
Herterich, Felix
Mangler, Clemens
Filipovic, Lado
Dellago, Christoph
Franchini, Cesare
Kotakoski, Jani
contents Phosphorene, a puckered two-dimensional allotrope of phosphorus, has sparked considerable interest in recent years due to its potential especially for optoelectronic applications with its layer-number-dependant direct band gap and strongly bound excitons. However, detailed experimental characterization of its intrinsic defects as well as its defect creation characteristics under electron irradiation are scarce. Here, we report on the creation and stability of a variety of defect configurations under 60 kV electron irradiation in mono- and bilayer phosphorene including the first experimental reports of stable adatom-vacancy-complexes. Displacement cross section measurements in bilayer phosphorene yield a value of 7.7 +- 1.4 barn with an estimated lifetime of adatom-vacancy-complexes of 19.9 +- 0.7 s, while some are stable for up to 68 s under continuous electron irradiation. Surprisingly, ab initio-based simulations indicate that the complexes should readily recombine, even in structures strained by up to 3 %. The presented results will help to improve the understanding of the wide variety of defects in phosphorene, their creation, and their stability, which may enable new pathways for defect engineered phosphorene devices.
format Preprint
id arxiv_https___arxiv_org_abs_2409_11102
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Electron-beam-induced adatom-vacancy-complexes in mono- and bilayer phosphorene
Speckmann, Carsten
Angeletti, Andrea
Kývala, Lukáš
Lamprecht, David
Herterich, Felix
Mangler, Clemens
Filipovic, Lado
Dellago, Christoph
Franchini, Cesare
Kotakoski, Jani
Mesoscale and Nanoscale Physics
Materials Science
Phosphorene, a puckered two-dimensional allotrope of phosphorus, has sparked considerable interest in recent years due to its potential especially for optoelectronic applications with its layer-number-dependant direct band gap and strongly bound excitons. However, detailed experimental characterization of its intrinsic defects as well as its defect creation characteristics under electron irradiation are scarce. Here, we report on the creation and stability of a variety of defect configurations under 60 kV electron irradiation in mono- and bilayer phosphorene including the first experimental reports of stable adatom-vacancy-complexes. Displacement cross section measurements in bilayer phosphorene yield a value of 7.7 +- 1.4 barn with an estimated lifetime of adatom-vacancy-complexes of 19.9 +- 0.7 s, while some are stable for up to 68 s under continuous electron irradiation. Surprisingly, ab initio-based simulations indicate that the complexes should readily recombine, even in structures strained by up to 3 %. The presented results will help to improve the understanding of the wide variety of defects in phosphorene, their creation, and their stability, which may enable new pathways for defect engineered phosphorene devices.
title Electron-beam-induced adatom-vacancy-complexes in mono- and bilayer phosphorene
topic Mesoscale and Nanoscale Physics
Materials Science
url https://arxiv.org/abs/2409.11102