Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Tuning valleys and wave functions of van der Waals heterostructures by
  varying the number of layers: A first-principles study   In van der Waals heterostructures of two-dimensional transition-metal
dichalcogenides (2D TMDCs) electron and hole states are spatially localized in
different layers forming long-lived interlayer excitons. Here, we have
investigated, from first principles, the influence of additional electron or
hole layers on the electronic properties of a MoS2/WSe2 heterobilayer (HBL),
which is a direct band gap material. Additional layers modify the interlayer
hybridization, mostly affecting the quasiparticle energy and real-space extend
of hole states at the G and electron states at the Q valleys. For a sufficient
number of additional layers, the band edges move from K to Q or G,
respectively. Adding electron layers to the HBL leads to more delocalized Q
states, while G states do not extend much beyond the HBL, even when more hole
layers are added. These results suggest a simple and yet powerful way to tune
band edges and the real-space extend of the electron and hole wave function in
TMDC heterostructures, strongly affecting the lifetime and dynamics of
interlayer excitons.

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The categories of this paper are: hep-ex
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The categories of this paper are: atom-ph
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The categories of this paper are: q-bio
9
The categories of this paper are: nlin
33
The categories of this paper are: plasm-ph
35
The categories of this paper are: mtrl-th
5
The categories of this paper are: gr-qc
20
The categories of this paper are: acc-phys
18
The categories of this paper are: econ
30
The categories of this paper are: q-alg
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The categories of this paper are: q-fin
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The categories of this paper are: physics
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The categories of this paper are: nucl-th
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The categories of this paper are: math-ph
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The categories of this paper are: cmp-lg
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The categories of this paper are: eess