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Title: Optimal electron irradiation as a tool for functionalization of MoS{sub 2}: Theoretical and experimental investigation

We demonstrate the utility of electron irradiation as a tool to enhance device functionality of graphene-analogous MoS{sub 2}. 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 MoS{sub 2} and related changes in their respective band-structures help us to explain plausible irradiation induced effects. Experimentally, various structural forms of MoS{sub 2} 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.
Authors:
; ; ; ;  [1] ; ;  [2] ;  [3] ;  [4]
  1. Technical Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)
  2. Material Science Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)
  3. Computer Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)
  4. Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)
Publication Date:
OSTI Identifier:
22399407
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 13; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CRYSTAL FIELD; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; ELECTRONS; GRAPHENE; IRRADIATION; L-S COUPLING; MAGNETIZATION; MOLYBDENUM; MOLYBDENUM SULFIDES; MONOCRYSTALS; NANOSTRUCTURES; PHYSICAL RADIATION EFFECTS; SPIN; SULFUR; VACANCIES