Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: GW band structure of monolayer MoS2 using the SternheimerGW method and
  effect of dielectric environment   Monolayers of transition-metal dichalcogenides (TMDs) hold great promise as
future nanoelectronic and optoelectronic devices. An essential feature for
achieving high device performance is the use of suitable supporting substrates,
which can affect the electronic and optical properties of these two-dimensional
(2D) materials. Here, we perform many-body GW calculations using the
SternheimerGW method to investigate the quasiparticle band structure of
monolayer MoS2 subject to an effective dielectric screening model, which is
meant to approximately describe substrate polarization in real device
applications. We show that, within this model, the dielectric screening has a
sizable effect on the quasiparticle band gap; for example, the gap
renormalization is as large as 250 meV for MoS2 with model screening
corresponding to SiO2. Within the G0W0 approximation, we also find that the
inclusion of the effective screening induces a direct band gap, in contrast to
the unscreened monolayer. We also find that the dielectric screening induces an
enhancement of the carrier effective masses by as much as 27% for holes, shifts
plasmon satellites, and redistributes quasiparticle weight. Our results
highlight the importance of the dielectric environment in the design of 2D
TMD-based devices.

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The categories of this paper are: q-bio
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The categories of this paper are: hep-lat
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The categories of this paper are: acc-phys
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The categories of this paper are: cs
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The categories of this paper are: ao-sci
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The categories of this paper are: quant-ph
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The categories of this paper are: nucl-th
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The categories of this paper are: nlin
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The categories of this paper are: mtrl-th
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The categories of this paper are: funct-an
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The categories of this paper are: econ
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The categories of this paper are: patt-sol
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The categories of this paper are: hep-ph
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The categories of this paper are: eess
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The categories of this paper are: plasm-ph
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The categories of this paper are: math-ph