Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping.
By H. Komsa, J. Kotakoski, S. Kurasch, O. Lehtinen, U. Kaiser, A. Krasheninnikov. Physical Review Letters, 2012
881 citations recorded by the source corpus.
Using first-principles atomistic simulations, we study the response of atomically thin layers of transition metal dichalcogenides (TMDs)--a new class of two-dimensional inorganic materials with unique electronic properties--to electron irradiation. We calculate displacement threshold energies for atoms in 21 different compounds and estimate the corresponding electron energies required to produce defects. For a representative structure of MoS2, we carry out high-resolution transmission electron microscopy experiments and validate our theoretical predictions via observations of vacancy formation under exposure to an 80 keV electron beam. We further show that TMDs can be doped by filling the vacancies created by the electron beam with impurity atoms. Thereby, our results not only shed light on the radiation response of a system with reduced dimensionality, but also suggest new ways for engineering the electronic structure of TMDs.
Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry, Renewable Energy, Sustainability and the Environment
View Paper: https://www.semanticscholar.org/paper/a7f8b8eb53ca40cd18bc851b17c5ae676a70450f
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Citations in the corpus
- Atomic mechanism of the semiconducting-to-metallic phase transition in single-layered MoS2. (2014, background): “Note also that the bottom S plane (S’) is supposed to have lower displacement threshold energy for the knock-on damage [1].”
- Spectroscopic investigation of defects in two-dimensional materials (2016, background): “The isoelectronic species like O, Se, or Te atoms do not produce any localized states, which illustrates that they can heal the electronic structure of TMDs with chalcogen vacancies [64].”