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The relaxed ground structures of superlattice for (a) with A-AFM magnetic ordering and (b) for with FM ordering indicated by yellow arrows. Blue, green, purple, and red spheres denote La, Sr, Mn, and O atoms, respectively. The dashed lines show the octahedrons.
The total energy as a function of the uniaxial strain for the optimized superlattice with AFM and FM ordering, respectively.
Orbital-resolved density of states for Mn states with different uniaxial compressive strains. The blue and red lines stand for the and orbitals, respectively. Positive and negative values are for majority and minority, respectively. The Fermi energy is set to zero.
Orbital-resolved density of states for O atoms positioned at different directions under uniaxial strain (left panel). The black, red, and blue lines denote , , and orbitals of O atoms, respectively. Positive and negative values are for majority and minority, respectively. The Fermi energy is set to zero. (d) shows the spin-up band structure of SL under uniaxial strain .
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