Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic and Magnetic Properties of double-perovskites La$_2$MnRuO$_6$
  and Hole-Doped La$_2$MnFeO$_6$ and their Potential for Magnetic Refrigeration   Magnetic refrigeration at room-temperature is a technology that could
potentially be more environmentally-friendly, efficient and affordable than
traditional refrigeration. The search for suitable materials for magnetocaloric
refrigeration led to the study of double-perovskites La$_2$MnNiO$_6$,
La$_2$MnCoO$_6$ and La$_2$MnFeO$_6$. While La$_2$MnNiO$_6$ and La$_2$MnCoO$_6$
are ferromagnets with near room-temperature $T_C$s, previous theoretical study
of double-perovskite La$_2$MnFeO$_6$ revealed that this material is a
ferrimagnet due to strong electronic interactions in Fe-$d$ orbitals. Here, we
investigate the double-perovskites La$_2$MnRuO$_6$ and LaA''MnFeO$_6$ (A'' =
Ba, Ca and Sr) with density functional theory (DFT) as materials that can
counteract the effects the strong repulsion present in the in Fe-$d$ shells of
La$_2$MnFeO$_6$ and lead to a ferromagnetic state. Our study reaveals that
while La$_2$MnRuO$_6$ is also a ferrimagnet, but with a higher net magnetic
moment per formula than La$_2$MnFeO$_6$, doubly-ordered LaA''MnFeO$_6$ are
ferromagnets. By mapping the total energy of the LaA''MnFeO$_6$ compounds
obtained from DFT calculations to the Ising model, we also calculate their
magnetic exchange couplings. This allows us to estimate the trend in $T_C$ of
the three doped La$_2$MnFeO$_6$ materials with classical Monte-Carlo
calculations and predict that doubly-ordered LaBaMnFeO$_6$ and LaSrMnFeO$_6$
could be suitable materials for room-temperature magnetic refrigeration.

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The categories of this paper are: hep-lat
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The categories of this paper are: hep-th
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The categories of this paper are: ao-sci
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The categories of this paper are: chem-ph
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The categories of this paper are: acc-phys
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The categories of this paper are: quant-ph
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The categories of this paper are: q-bio
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The categories of this paper are: solv-int
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The categories of this paper are: bayes-an
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The categories of this paper are: adap-org
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The categories of this paper are: econ
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The categories of this paper are: cmp-lg
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The categories of this paper are: math-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: chao-dyn
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The categories of this paper are: alg-geom