Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Structural relaxation and Jahn-Teller distortion of LaMnO3 (001) surface   We studied in detail the structural relaxation and Jahn-Teller distortion in
LaMnO3 (001) surface of the orthorhombic phase by means of classical atomistic
simulation. It is found that MnO2-terminated surface is more energetically
favorable than LaO-terminated surface by 0.34 eV. The standard deviation of
Mn-O bond lengths of MnO6 octahedra and Jahn-Teller distortion oscillate in
LaMnO3 (001) surface. Our simulated atomic displacements in the surface are
compared with some ab initio studies.

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The categories of this paper are: math
11
The categories of this paper are: hep-lat
6
The categories of this paper are: astro-ph
33
The categories of this paper are: plasm-ph
26
The categories of this paper are: bayes-an
28
The categories of this paper are: alg-geom
17
The categories of this paper are: q-fin
23
The categories of this paper are: solv-int
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The categories of this paper are: patt-sol
20
The categories of this paper are: acc-phys
31
The categories of this paper are: ao-sci
35
The categories of this paper are: mtrl-th
10
The categories of this paper are: q-bio
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The categories of this paper are: hep-th
18
The categories of this paper are: econ
34
The categories of this paper are: chem-ph