Optimal electron irradiation as a tool for functionalization of MoS2: Theoretical and experimental investigation

We demonstrate the utility of electron irradiation as a tool to enhance device functionality of graphene-analogous MoS2. With the help of first-principles based calculations, vacancy-induced changes of various electronic properties are shown to be a combined result of crystal-field modification and...

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Bibliographic Details
Published in:Journal of applied physics 2015-04, Vol.117 (13)
Main Authors: Karmakar, Debjani, Halder, Rumu, Padma, N., Abraham, Geogy, Vaibhav, K., Ghosh, M., Kaur, M., Bhattacharya, D., Chandrasekhar Rao, T. V.
Format: Article
Language:English
Subjects:
Applied physics
Electron irradiation
Electronic devices
Electronic properties
First principles
Graphene
Magnetic properties
Magnetization
Mathematical analysis
Molybdenum disulfide
Nanocrystals
Single crystals
Structural forms
Transport properties
Vacancies
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Summary:We demonstrate the utility of electron irradiation as a tool to enhance device functionality of graphene-analogous MoS2. With the help of first-principles based calculations, vacancy-induced changes of various electronic properties are shown to be a combined result of crystal-field modification and spin-orbital coupling. A comparative theoretical study of various possible vacancy configurations both in bulk and monolayer MoS2 and related changes in their respective band-structures help us to explain plausible irradiation induced effects. Experimentally, various structural forms of MoS2 in bulk, few layered flakes, and nanocrystals are observed to exhibit important modification of their magnetic, transport, and vibrational properties, following low doses of electron irradiation. While irradiated single crystals and nanocrystals show an enhanced magnetization, transport properties of few-layered devices show a significant increase in their conductivity, which can be very useful for fabrication of electronic devices. Our theoretical calculations reveal that this increase in n-type conductivity and magnetization can be correlated with the presence of sulfur and molybdenum vacancies.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.4916530