Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic structure and magnetism in slightly doped SrB_6   Spin-polarized band calculations for supercells of SrB$_{6}$, where a La-,
In- or Al- impurity or a vacancy is replacing one Sr, are performed within the
local spin density approximation. Moderately large cells with 8 formula units
(56 atoms) are studied for all dopings and large ones with 27 formula units
(189 atoms) for the case of La-doping. The undoped system has a vanishing
density-of-states (DOS) at the Fermi energy (E$_F$), while the additional La-d
band makes E$_F$ to enter the bands above the gap. An Al (or In) impurity has
the opposite effect, with a rigid-band like shift of E_F to below the gap. In
the former case, the addition of a d-electron makes a local, impurity-like
modification of the electronic structure close to the La atom. As has been
shown in a previous publication, it can lead to a weak ferromagnetic state.
This result is shown to persist at even lower doping, by the 189-atom cell
calculations, with a moment of the order 0.1 $\mu_B$ per La impurity. An
addition of a p-electron, by an In-impurity, makes no similar effect. The
magnetic state can be understood from a charge transfer and an additional gain
in potential energy, as a spin-splitting is imposed. Different models with
modified localization of the La-band are made in order to show the correlation
between charge transfer and the size of the magnetic moment.

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The categories of this paper are: plasm-ph
0
The categories of this paper are: hep-ph
6
The categories of this paper are: astro-ph
18
The categories of this paper are: econ
14
The categories of this paper are: math-ph
1
The categories of this paper are: cs
19
The categories of this paper are: eess
26
The categories of this paper are: bayes-an
31
The categories of this paper are: ao-sci
21
The categories of this paper are: adap-org
27
The categories of this paper are: comp-gas
34
The categories of this paper are: chem-ph
17
The categories of this paper are: q-fin
20
The categories of this paper are: acc-phys
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The categories of this paper are: funct-an
35
The categories of this paper are: mtrl-th