Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic structure of the Co(0001)/MoS2 interface, and its possible
  use for electrical spin injection in a single MoS2 layer   The ability to perform efficient electrical spin injection from ferromagnetic
metals into two-dimensional semiconductor crystals based on transition metal
dichalcogenide monolayers is a prerequisite for spintronic and valleytronic
devices using these materials. Here, the hcp Co(0001)/MoS2 interface electronic
structure is investigated by first-principles calculations based on the density
functional theory. In the lowest energy configuration of the hybrid system
after optimization of the atomic coordinates, we show that interface sulfur
atoms are covalently bound to one, two or three cobalt atoms. A decrease of the
Co atom spin magnetic moment is observed at the interface, together with a
small magnetization of S atoms. Mo atoms also hold small magnetic moments which
can take positive as well as negative values. The charge transfers due to
covalent bonding between S and Co atoms at the interface have been calculated
for majority and minority spin electrons and the connections between these
interface charge transfers and the induced magnetic properties of the MoS2
layer are discussed. Band structure and density of states of the hybrid system
are calculated for minority and majority spin electrons, taking into account
spin-orbit coupling. We demonstrate that MoS2 bound to the Co contact becomes
metallic due to hybridization between Co d and S p orbitals. For this metallic
phase of MoS2, a spin polarization at the Fermi level of 16 % in absolute value
is calculated, that could allow spin injection into the semiconducting MoS2
monolayer channel. Finally, the symmetry of the majority and minority spin
electron wave functions at the Fermi level in the Co-bound metallic phase of
MoS2 and the orientation of the border between the metallic and semiconducting
phases of MoS2 are investigated, and their impact on spin injection into the
MoS2 channel is discussed.

30
The categories of this paper are: q-alg
1
The categories of this paper are: cs
9
The categories of this paper are: nlin
17
The categories of this paper are: q-fin
6
The categories of this paper are: astro-ph
26
The categories of this paper are: bayes-an
35
The categories of this paper are: mtrl-th
16
The categories of this paper are: stat
20
The categories of this paper are: acc-phys
36
The categories of this paper are: cmp-lg
15
The categories of this paper are: nucl-ex
13
The categories of this paper are: quant-ph
18
The categories of this paper are: econ
5
The categories of this paper are: gr-qc
7
The categories of this paper are: hep-th
2
The categories of this paper are: math