Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Computationally-driven, high throughput identification of CaTe and
  Li$_\textrm{3}$Sb as promising candidates for high mobility $p$-type
  transparent conducting materials   High-performance $p$-type transparent conducting materials (TCMs) must
exhibit a rare combination of properties including high mobility, transparency
and $p$-type dopability. The development of high-mobility/conductivity $p$-type
TCMs is necessary for many applications such as solar cells, or transparent
electronic devices. Oxides have been traditionally considered as the most
promising chemical space to dig out novel $p$-type TCMs. However, non-oxides
might perform better than traditional $p$-type TCMs (oxides) in terms of
mobility. We report on a high-throughput (HT) computational search for
non-oxide $p$-type TCMs from a large dataset of more than 30,000 compounds
which identified CaTe and Li$_\textrm{3}$Sb as very good candidates for
high-mobility $p$-type TCMs. From our calculations, both compounds are expected
to be $p$-type dopable: intrinsically for Li$_\textrm{3}$Sb while CaTe would
require extrinsic doping. Using electron-phonon computations, we estimate hole
mobilities at room-temperature to be about 20 and 70 cm$^2$/Vs for CaTe and
Li$_\textrm{3}$Sb, respectively. The computed hole mobility for
Li$_\textrm{3}$Sb is quite exceptional and comparable with the electron
mobility in the best $n$-type TCMs.

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The categories of this paper are: physics
22
The categories of this paper are: chao-dyn
7
The categories of this paper are: hep-th
11
The categories of this paper are: hep-lat
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The categories of this paper are: eess
35
The categories of this paper are: mtrl-th
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The categories of this paper are: math-ph
15
The categories of this paper are: nucl-ex
26
The categories of this paper are: bayes-an
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The categories of this paper are: q-alg
31
The categories of this paper are: ao-sci
25
The categories of this paper are: patt-sol
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The categories of this paper are: math
8
The categories of this paper are: hep-ex
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The categories of this paper are: plasm-ph
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The categories of this paper are: adap-org