Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Relaxation and reconstruction on (111) surfaces of Au, Pt, and Cu   We have theoretically studied the stability and reconstruction of (111)
surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface
stress, interatomic force constants, and other relevant quantities by ab initio
electronic structure calculations using the density functional theory (DFT), in
a slab geometry with periodic boundary conditions. We have estimated the
stability towards a quasi-one-dimensional reconstruction by using the
calculated quantities as parameters in a one-dimensional Frenkel-Kontorova
model. On all surfaces we have found an intrinsic tensile stress. This stress
is large enough on Au and Pt surfaces to lead to a reconstruction in which a
denser surface layer is formed, in agreement with experiment. The
experimentally observed differences between the dense reconstruction pattern on
Au(111) and a sparse structure of stripes on Pt(111) are attributed to the
details of the interaction potential between the first layer of atoms and the
substrate.

15
The categories of this paper are: nucl-ex
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The categories of this paper are: alg-geom
6
The categories of this paper are: astro-ph
37
The categories of this paper are: supr-con
5
The categories of this paper are: gr-qc
12
The categories of this paper are: nucl-th
36
The categories of this paper are: cmp-lg
21
The categories of this paper are: adap-org
31
The categories of this paper are: ao-sci
23
The categories of this paper are: solv-int
26
The categories of this paper are: bayes-an
10
The categories of this paper are: q-bio
29
The categories of this paper are: funct-an
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The categories of this paper are: q-fin
1
The categories of this paper are: cs
30
The categories of this paper are: q-alg