Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic and Magnetic Properties of single Fe atoms on a CuN Surface;
  Effects of Electron Correlations   The electronic structure and magnetic properties of a single Fe adatom on a
CuN surface have been studied using density functional theory in the local spin
density approximation (LSDA), the LSDA+U approach and the local density
approximation plus dynamical mean-field theory (LDA+DMFT). The impurity problem
in LDA+DMFT is solved through exact diagonalization and in the Hubbard-I
approximation. The comparison of the one-particle spectral functions obtained
from LSDA, LSDA+U and LDA+DMFT show the importance of dynamical correlations
for the electronic structure of this system. Most importantly, we focused on
the magnetic anisotropy and found that neither LSDA, nor LSDA+U can explain the
measured, high values of the axial and transverse anisotropy parameters.
Instead, the spin excitation energies obtained from our LDA+DMFT approach with
exact diagonalization agree significantly better with experimental data. This
affirms the importance of treating fluctuating magnetic moments through a
realistic many-body treatment when describing this class of nano-magnetic
systems. Moreover, it facilitates insight to the role of the hybridization with
surrounding orbitals.

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The categories of this paper are: hep-ph
32
The categories of this paper are: atom-ph
5
The categories of this paper are: gr-qc
34
The categories of this paper are: chem-ph
30
The categories of this paper are: q-alg
33
The categories of this paper are: plasm-ph
13
The categories of this paper are: quant-ph
17
The categories of this paper are: q-fin
37
The categories of this paper are: supr-con
15
The categories of this paper are: nucl-ex
16
The categories of this paper are: stat
7
The categories of this paper are: hep-th
36
The categories of this paper are: cmp-lg
24
The categories of this paper are: dg-ga
18
The categories of this paper are: econ
26
The categories of this paper are: bayes-an