Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: The Effect of Intra-Layer Bonding on Electron-Optical Phase Images of
  Few-Layer WSe2   The quantitative analysis of electron-optical phase images recorded using
off-axis electron holography often relies on the use of computer simulations of
electron propagation through a sample. However, simulations that make use of
the independent atom approximation are known to overestimate experimental phase
shifts by approximately 10%, as they neglect bonding effects. Here, we compare
experimental and simulated phase images for few-layer WSe2 . We show that a
combination of pseudopotentials and all-electron density functional theory
calculations can be used to obtain accurate mean electron phases, as well as
improved atomic-resolution spatial distribution of the electron phase. The
comparison demonstrates a perfect contrast match between experimental and
simulated atomic-resolution phase images for a sample of precisely know
thickness. The low computational cost of this approach makes it suitable for
the analysis of large electronic systems, including defects, substitutional
atoms and material interfaces.

28
The categories of this paper are: alg-geom
26
The categories of this paper are: bayes-an
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The categories of this paper are: hep-th
35
The categories of this paper are: mtrl-th
0
The categories of this paper are: hep-ph
10
The categories of this paper are: q-bio
14
The categories of this paper are: math-ph
13
The categories of this paper are: quant-ph
1
The categories of this paper are: cs
3
The categories of this paper are: physics
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The categories of this paper are: eess
11
The categories of this paper are: hep-lat
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The categories of this paper are: cmp-lg
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The categories of this paper are: nlin
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The categories of this paper are: comp-gas
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The categories of this paper are: dg-ga