Ion-beam mediated patterning of MoS₂ monolayers


Ion-beam mediated patterning of MoS₂ monolayers

Ghorbani-Asl, M.; Kretschmer, S.; Spearot, D.; Krasheninnikov, A. V.

Using analytical potential molecular dynamics combined with first-principles calculations, we study the production of defects in free-standing MoS₂ monolayers under ion irradiation for a wide range of ion energies when nuclear stopping dominates. The probabilities of defect production have been studied for various types of defects. We show that depending on the incident angle, ion type, and energy, sulfur atoms can be sputtered away predominantly from the top or bottom layers, providing unique opportunities for ion-beam mediated patterning of MoS₂. As an example, we study the stability and electronic properties of mixed MoSX compounds where X are chemical elements from group V or VII. We demonstrate that such systems can show metallic character (e.g. MoSF) and further be used to design metal/semiconductor/metal junctions, which exhibit negative differential resistance.

Keywords: ion-irradiation; MoS₂ monolayer; molecular dynamics; first-principles calculations

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Permalink: https://www.hzdr.de/publications/Publ-26873
Publ.-Id: 26873