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Half-Metallicity of LSMO

G. Banach·W. M. Temmerman
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Abstract

Self-interaction corrected local spin density approximation calculations were performed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence and inter-relationship of Sr doping, magnetic structure, O displacements and phase segregation on the Mn charge state were studied. A half-metallic state was obtained for LSMO with manganese configuration Mn$^{3+}$, whilst Mn$^{4+}$ gave rise to a metallic state with a negligible spin polarisation at the Fermi level. Elongating the MnO$_6$ octahedron led to a static mixed valence Mn$^{3+}$/Mn$^{4+}$ configuration. In the mixed valence state the total energy was minimized by an ordered array of Mn$^{4+}$ and Mn$^{3+}$ MnO$_2$ planes which showed charge ordered stripes.

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G. Banach, W. M. Temmerman. 2003-08-14. Half-Metallicity of LSMO. https://doi.org/10.1103/physrevb.69.054427

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