Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First-principles investigations of the magnetic phase diagram of
  Gd$_{1-x}$Ca$_{x}$MnO$_{3}$   We studied for the first time the magnetic phase diagram of the rare-earth
manganites series Gd$_{1-x}$Ca$_{x}$MnO$_{3}$ (GCMO) over the full
concentration range based on density functional theory. GCMO has been shown to
form solid solutions. We take into account this disordered character by
adapting special quasi random structures at different concentration steps. The
magnetic phase diagram is mainly described by means of the magnetic exchange
interactions between the Mn sites and Monte Carlo simulations were performed to
estimate the corresponding transition temperatures. They agree very well with
recent experiments. The hole doped region $x<0.5$ shows a strong ferromagnetic
ground state, which competes with A-type antiferromagnetism at higher Ca
concentrations $x>0.6$.

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The categories of this paper are: alg-geom
8
The categories of this paper are: hep-ex
11
The categories of this paper are: hep-lat
36
The categories of this paper are: cmp-lg
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The categories of this paper are: chem-ph
23
The categories of this paper are: solv-int
5
The categories of this paper are: gr-qc
0
The categories of this paper are: hep-ph
13
The categories of this paper are: quant-ph
9
The categories of this paper are: nlin
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The categories of this paper are: adap-org
2
The categories of this paper are: math
27
The categories of this paper are: comp-gas
30
The categories of this paper are: q-alg
20
The categories of this paper are: acc-phys
7
The categories of this paper are: hep-th