Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Structural Transition in Layered
  As$_{\sf\textbf{1-x}}$P$_{\sf\textbf{x}}$ Compounds: A Computational Study   As a way to further improve the electronic properties of group V layered
semiconductors, we propose to form in-layer 2D heterostructures of black
phosphorus and grey arsenic. We use \textit{ab initio} density functional
theory to optimize the geometry, determine the electronic structure, and
identify the most stable allotropes as a function of composition. Since pure
black phosphorus and pure grey arsenic monolayers differ in their equilibrium
structure, we predict a structural transition and a change in frontier states,
including a change from a direct-gap to an indirect-gap semiconductor, with
changing composition.

31
The categories of this paper are: ao-sci
24
The categories of this paper are: dg-ga
17
The categories of this paper are: q-fin
26
The categories of this paper are: bayes-an
6
The categories of this paper are: astro-ph
8
The categories of this paper are: hep-ex
29
The categories of this paper are: funct-an
21
The categories of this paper are: adap-org
34
The categories of this paper are: chem-ph
35
The categories of this paper are: mtrl-th
32
The categories of this paper are: atom-ph
36
The categories of this paper are: cmp-lg
25
The categories of this paper are: patt-sol
27
The categories of this paper are: comp-gas
9
The categories of this paper are: nlin
0
The categories of this paper are: hep-ph