Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Turning Copper Metal into Weyl Semimetal   A search for new topological quantum systems is challenging due to the
requirement of non{trivial band connectivity that leads to protected surface
states of electrons. A progress in this field was primarily due to a
realization of band inversion mechanism between even and odd parity states that
was proven to be very useful in both predicting many of such systems and our
understanding their topological properties. Despite many proposed materials
assume the band inversion between s and p (or p/d, d/f) electrons, here, we
explore a different mechanism where the occupied d states subjected to a
tetrahedral crystal field produce an active t2g manifold behaving as a state
with an effective orbital momentum equal to negative one, and pushing jeff =
1=2 doublet at a higher energy. Via hybridization with nearest neighbor
orbitals realizable, e.g., in a zincblende structural environment, this allows
a formation of odd parity state whose subsequent band inversion with an
unoccupied s band becomes possible, prompting us to look for the compounds with
Cu+1 ionic state. Chemical valence arguments coupled to a search in materials
database lead us to systematically investigate electronic structures and
topological properties of CuY (Y=F, Cl, Br, I) and CuXO (X=Li, Na, K, Rb)
families of compounds. Our theoretical results show that CuF displays a
behavior characteristic of an ideal Weyl semimetal with 24 Weyl nodes at the
bulk Brillouin Zone. We also find that another compounds CuNaO and CuLiO are
the s-d inversion type topological insulators. Results for their electronic
structures and corresponding surfaces states are presented and discussed in the
context of their topological properties.

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The categories of this paper are: solv-int
30
The categories of this paper are: q-alg
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The categories of this paper are: adap-org
12
The categories of this paper are: nucl-th
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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-th
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The categories of this paper are: gr-qc
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The categories of this paper are: math
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The categories of this paper are: econ
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The categories of this paper are: dg-ga
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The categories of this paper are: funct-an
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The categories of this paper are: quant-ph
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The categories of this paper are: cs
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The categories of this paper are: acc-phys
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The categories of this paper are: patt-sol