  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.
