Effects of uniaxial strain in LaMnO_3

Abstract

The effects of uniaxial strain on the structural, orbital, optical, and magnetic properties of LaMnO_3 are calculated using a general elastic energy expression, along with a tight-binding parameterization of the band theory. Tensile uniaxial strain of the order of 2 % (i.e., of the order of magnitude of those induced in thin films by lattice mismatch with substrates) is found to lead to changes in the magnetic ground state, leading to dramatic changes in the band structure and optical conductivity spectrum. The magnetostriction effect associated with the Neel transition of bulk(unstrained) LaMnO_3 is also determined. Due to the Jahn-Teller coupling, the uniform tetragonal distortion mode is softer in LaMnO_3 than in doped cubic manganates. Reasons why the observed (ππ0) orbital ordering is favored over a (πππ) periodicity are discussed.

9 figures, submitted in Phys. Rev. B