Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Origin of large moments in Mn$_x$Si$_{1-x}$ at small x   Recently, the magnetic moment/Mn, $M$, in Mn$_x$Si$_{1-x}$ was measured to be
5.0 $\mu_B$/Mn, at $x$ =0.1%. To understand this observed $M$, we investigate
several Mn$_x$Si$_{1-x}$ models of alloys using first-principles density
functional methods. The only model giving $M = 5.0$ was a 513-atom cell having
the Mn at a substitutional site, and Si at a second-neighbor interstitial site.
The observed large moment is a consequence of the weakened d-p hybridization
between the Mn and one of its nearest neighbor Si atoms, resulting from the
introduction of the second-neighbor interstitial Si. Our result suggests a way
to tune the magnetic moments of transition metal doped semiconductors.

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The categories of this paper are: funct-an
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The categories of this paper are: atom-ph
14
The categories of this paper are: math-ph
31
The categories of this paper are: ao-sci
18
The categories of this paper are: econ
37
The categories of this paper are: supr-con
0
The categories of this paper are: hep-ph
9
The categories of this paper are: nlin
23
The categories of this paper are: solv-int
2
The categories of this paper are: math
33
The categories of this paper are: plasm-ph
10
The categories of this paper are: q-bio
1
The categories of this paper are: cs
3
The categories of this paper are: physics
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The categories of this paper are: mtrl-th
36
The categories of this paper are: cmp-lg