Figure 5. Results of first-principles calculations.
(a) The supercell used for calculations is La4Sr2Mn6O18 (1 × 3 × 2) with experimental lattice constants: a=3.952 Å, b=3.947 Å and c=3.788 Å. (b) DOS obtained using GGA+U=6 eV. (c) DOS of O-px (pink lines) and O-py (blue lines) orbitals under various strain anisotropies with fixed y direction lattice constant (b=3.947 Å).