Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Density functional analysis of the simultaneous charge/spin order and
  the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12   LaCu3Fe4O12 undergoes a phase transition at 393 K involving the spin order
(SO) of the Fe sites and the charge order (CO) resulting in Cu-Fe intersite
charge transfer. On the basis of density functional calculations, we show that
this simultaneous CO/SO phenomenon is a consequence of two electronic effects,
namely, the competition between the Fe-Fe and Fe-Cu antiferromagnetic spin
exchange and the dependence of the width of the Fe d-block bands on the SO of
the Fe atoms.

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The categories of this paper are: mtrl-th
21
The categories of this paper are: adap-org
8
The categories of this paper are: hep-ex
6
The categories of this paper are: astro-ph
33
The categories of this paper are: plasm-ph
5
The categories of this paper are: gr-qc
22
The categories of this paper are: chao-dyn
23
The categories of this paper are: solv-int
18
The categories of this paper are: econ
30
The categories of this paper are: q-alg
9
The categories of this paper are: nlin
3
The categories of this paper are: physics
31
The categories of this paper are: ao-sci
11
The categories of this paper are: hep-lat
20
The categories of this paper are: acc-phys
32
The categories of this paper are: atom-ph