Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic Properties of Defective MoS$_{2}$ Monolayers Subject to
  Mechanical Deformations: A First-Principles Approach   Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are
semiconducting two-dimensional materials with direct bandgap, showing promising
applications in various fields of science and technology, such as
nanoelectronics and optoelectronics. These monolayers can undergo strong
elastic deformations, up to about 10\%, without any bond breaking. Moreover,
the electronic structure and transport properties, which define the performance
of these TMDs monolayers in nanoelectronic devices, can be strongly affected by
the presence of point defects, which are often present in the synthetic
samples. Thus, it is important to understand both effects on the electronic
properties of such monolayers. In this work, we have investigated the
electronic structure and energetic properties of defective MoS$_{2}$
monolayers, as subject to various strains, using density functional theory
simulations. Our results indicated that strain leads to strong modifications of
the defect levels inside the bandgap and their orbital characteristics. Strain
also splits the degenerate defect levels up to an amount of 450~meV, proposing
novel applications.

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The categories of this paper are: dg-ga
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The categories of this paper are: quant-ph
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The categories of this paper are: hep-th
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The categories of this paper are: alg-geom
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The categories of this paper are: stat
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The categories of this paper are: chao-dyn
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The categories of this paper are: ao-sci
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The categories of this paper are: q-fin
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The categories of this paper are: hep-lat
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The categories of this paper are: patt-sol
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The categories of this paper are: q-alg
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The categories of this paper are: mtrl-th
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The categories of this paper are: econ
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The categories of this paper are: plasm-ph
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The categories of this paper are: chem-ph
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The categories of this paper are: nlin