Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Metallizing the Mott insulator TiOCl by electron doping: a view from
  LDA+DMFT   Based on recent experiments, we describe the Mott insulating, but undimerized
state of $TiOCl$ using the local-density approximation combined with
multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$
system.Good agreement with the high estimated value of the superexchange is
obtained. The possibility of an electron-doped insulator-metal transition in
$TiOCl$ is investigated in this scheme and a Mott-Hubbard transition with a
jump in carrier density {\it inside} the metallic state is found. Clear,
co-incident, discontinuous changes in orbital occupations are observed, showing
that such a transition would involve strong, multi-orbital correlations. These
results call for studies on suitably intercalated $TiOCl$ that may induce
metallization and, possibly, unconventional superconductivity.

1
The categories of this paper are: cs
8
The categories of this paper are: hep-ex
32
The categories of this paper are: atom-ph
37
The categories of this paper are: supr-con
35
The categories of this paper are: mtrl-th
14
The categories of this paper are: math-ph
17
The categories of this paper are: q-fin
29
The categories of this paper are: funct-an
36
The categories of this paper are: cmp-lg
21
The categories of this paper are: adap-org
24
The categories of this paper are: dg-ga
3
The categories of this paper are: physics
23
The categories of this paper are: solv-int
33
The categories of this paper are: plasm-ph
30
The categories of this paper are: q-alg
25
The categories of this paper are: patt-sol