Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Monolayer MnX and Janus XMnY (X, Y= S, Se, Te): A New Family of 2D
  Antiferromagnetic Semiconductors   We present first-principles results on the structural, electronic, and
magnetic properties of a new family of two-dimensional antiferromagnetic (AFM)
manganese chalcogenides, namely monolayer MnX and Janus XMnY (X, Y= S, Se, Te),
among which monolayer MnSe was recently synthesized in experiments
[\href{https://pubs.acs.org/doi/abs/10.1021/acsnano.1c05532}{ACS Nano 15
(8),13794 (2021)}]. By carrying out calculations of the phonon dispersion and
\textit{ab-initio} molecular dynamics simulations, we first confirmed that
these systems, characterized by an unconventional strongly coupled bilayer
atomic structure (consisting of Mn atoms buckled to chalcogens forming top and
bottom ferromagnetic (FM) planes with antiparallel spin orientation) are
dynamically and thermally stable. The analysis of the the magnetic properties
shows that these materials have robust AFM order, retaining a much lower energy
than the FM state even for under strain. Our electronic structure calculations
reveal that pristine MnX and their Janus counterparts are indirect-gap
semiconductors, covering a wide energy range and displaying tunable band gaps
by the application of biaxial tensile and compressive strain. Interestingly,
owing to the absence of inversion and time-reversal symmetry, and the presence
of an asymmetrical potential in the out-of-plane direction, Janus XMnY become
spin-split gapped systems, presenting a rich physics yet to be explored. Our
findings provide novel insights in this physics, and highlight the potential
for these two-dimensional manganese chalcogenides in AFM spintronics.

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The categories of this paper are: funct-an
1
The categories of this paper are: cs
18
The categories of this paper are: econ
8
The categories of this paper are: hep-ex
11
The categories of this paper are: hep-lat
26
The categories of this paper are: bayes-an
36
The categories of this paper are: cmp-lg
35
The categories of this paper are: mtrl-th
10
The categories of this paper are: q-bio
19
The categories of this paper are: eess
20
The categories of this paper are: acc-phys
2
The categories of this paper are: math
13
The categories of this paper are: quant-ph
15
The categories of this paper are: nucl-ex
9
The categories of this paper are: nlin
24
The categories of this paper are: dg-ga