Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Switchable Atomically Thin 2D Electrides from First-principles
  Prediction   Electrides, with excess anionic electrons confined in their empty space, are
promising for uses in catalysis, nonlinear optics and spin-electronics.
However, the application of electrides is limited by their high chemical
reactivity with the environmental agents. In this work, we report the discovery
of a group of two-dimensional (2D) moonolayer electrides with the presence of
switchable nearly free electron (NFE) states in their electronic structures.
Unlike conventional electrides, which are metals with floating electrons
forming the partially occupied bands close to the Fermi level, the switchable
electrides are chemically much less active semiconductors holding the NFE
states that are 0.3-1.5 eV above the Fermi level. According to a high
throughput search, we identified 12 2D candidates that possess such low-energy
NFE states. Among them, 11 2D materials can likely be exfoliated from the known
layered materials. Under external forces, such as a compressive strain, these
NFE states stemming from the surface image potential will be pushed downward to
cross the Fermi level. Remarkably, the critical semiconductor-metal transition
can be achieved by a strain as low as 3% in 2D monolayer Na$_2$Pd$_3$O$_4$. As
such, the switchable 2D electrides may provide an ideal platform for exploring
novel quantum phenomena and modern electronic device applications.

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The categories of this paper are: hep-ph
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The categories of this paper are: hep-lat
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The categories of this paper are: hep-ex
33
The categories of this paper are: plasm-ph
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The categories of this paper are: adap-org
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The categories of this paper are: alg-geom
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The categories of this paper are: mtrl-th
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The categories of this paper are: hep-th
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The categories of this paper are: nlin
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The categories of this paper are: solv-int
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The categories of this paper are: chao-dyn
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The categories of this paper are: dg-ga
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The categories of this paper are: gr-qc
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The categories of this paper are: nucl-ex
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The categories of this paper are: stat
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The categories of this paper are: nucl-th