Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A possible route to grow a (Mn:Si(1-x)Gex)-based diluted magnetic
  semiconductor   We systematically investigate, using ab initio density-functional theory
calculations, the properties of interstitial and substitutional Mn in both Si
and Ge, as well as in the Si(1-x)Gex alloy. We show that volume effects are not
the main reason Mn prefers to be a subsitutional impurity in pure Ge, and
chemical effects, therefore, play an important role. Using realistic models of
Si(1-x)Gex, we show that for x approximately greater than 0.16 substitutional
Mn in Ge-rich neighborhoods become more stable than interstitial Mn, which may
allow the growth of Si-based diluted magnetic semiconductors.

23
The categories of this paper are: solv-int
30
The categories of this paper are: q-alg
14
The categories of this paper are: math-ph
10
The categories of this paper are: q-bio
6
The categories of this paper are: astro-ph
9
The categories of this paper are: nlin
35
The categories of this paper are: mtrl-th
31
The categories of this paper are: ao-sci
36
The categories of this paper are: cmp-lg
1
The categories of this paper are: cs
33
The categories of this paper are: plasm-ph
34
The categories of this paper are: chem-ph
22
The categories of this paper are: chao-dyn
24
The categories of this paper are: dg-ga
20
The categories of this paper are: acc-phys
0
The categories of this paper are: hep-ph