Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Antiferromagnetic ordering of dangling-bond electrons at the stepped
  Si(001) surface   Using first-principles density-functional calculations, we explore the
possibility of magnetic order at the rebonded $D_B$ step of the Si(001)
surface. The rebonded $D_B$ step containing threefold coordinated Si atoms can
be treated as a one-dimensional dangling-bond (DB) wire along the step edge. We
find that Si atoms composing the step edge are displaced up and down
alternatively due to Jahn-Teller-like distortion, but, if Si dimers on the
terrace are passivated by H atoms, the antiferromagnetic (AFM) order can be
stabilized at the step edge with a suppression of Jahn-Teller-like distortion.
We also find that the energy preference of AFM order over Jahn-Teller-like
distortion is enhanced in an oscillatory way as the length of DB wires
decreases, showing the so-called quantum size effects.

11
The categories of this paper are: hep-lat
18
The categories of this paper are: econ
26
The categories of this paper are: bayes-an
9
The categories of this paper are: nlin
7
The categories of this paper are: hep-th
27
The categories of this paper are: comp-gas
16
The categories of this paper are: stat
2
The categories of this paper are: math
0
The categories of this paper are: hep-ph
29
The categories of this paper are: funct-an
36
The categories of this paper are: cmp-lg
25
The categories of this paper are: patt-sol
1
The categories of this paper are: cs
19
The categories of this paper are: eess
5
The categories of this paper are: gr-qc
35
The categories of this paper are: mtrl-th