Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active
  A site   Using first-principles density functional calculations, we perform a
comparative study of two Fe based spinel compounds, FeCr2S4 and FeSc2S4. Though
both systems contain an orbitally active A site with an Fe2+ ion, their
properties are rather dissimilar. Our study unravels the microscopic origin of
their behavior driven by the differences in hybridization of Fe d states with
Cr/Sc d states and S p states in the two cases. This leads to important
differences in the nature of the magnetic exchanges as well as the nearest
versus next nearest neighbor exchange parameter ratios, resulting into
significant frustration effects in FeSc2S4 which are absent in FeCr2S4.

28
The categories of this paper are: alg-geom
17
The categories of this paper are: q-fin
16
The categories of this paper are: stat
29
The categories of this paper are: funct-an
2
The categories of this paper are: math
9
The categories of this paper are: nlin
21
The categories of this paper are: adap-org
35
The categories of this paper are: mtrl-th
14
The categories of this paper are: math-ph
37
The categories of this paper are: supr-con
32
The categories of this paper are: atom-ph
10
The categories of this paper are: q-bio
18
The categories of this paper are: econ
31
The categories of this paper are: ao-sci
8
The categories of this paper are: hep-ex
5
The categories of this paper are: gr-qc