Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: DFT+U Investigation of magnetocrystalline anisotropy of Mn-doped
  transition-metal dichalcogenides monolayers   Doped transition-metal dichalcogenides monolayers exhibit exciting magnetic
properties for the benefit of two-dimensional spintronic devices. Using density
functional theory (DFT) incorporating Hubbard-type of correction (DFT$+U$) to
account for the electronic correlation, we study the magnetocrystalline
anisotropy energy (MAE) characterizing Mn-doped MS$_2$ (M=Mo, W) monolayers. A
single isolated Mn dopant exhibits a large perpendicular magnetic anisotropy of
35 meV (8 meV) in the case of Mn-doped WS$_2$ (MoS$_2$) monolayer. This value
originates from the Mn in-plane orbitals degeneracy lifting due to the
spin-orbit coupling. In pairwise doping, the magnetization easy axis changes to
the in-plane direction with a weak MAE compared to single Mn doping. Our
results suggest that diluted Mn-doped MS$_2$ monolayers, where the Mn dopants
are well separated, could potentially be a candidate for the realization of
ultimate nanomagnet units.

16
The categories of this paper are: stat
0
The categories of this paper are: hep-ph
23
The categories of this paper are: solv-int
33
The categories of this paper are: plasm-ph
25
The categories of this paper are: patt-sol
24
The categories of this paper are: dg-ga
37
The categories of this paper are: supr-con
30
The categories of this paper are: q-alg
19
The categories of this paper are: eess
22
The categories of this paper are: chao-dyn
13
The categories of this paper are: quant-ph
20
The categories of this paper are: acc-phys
9
The categories of this paper are: nlin
2
The categories of this paper are: math
6
The categories of this paper are: astro-ph
7
The categories of this paper are: hep-th