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Self-interaction corrected local spin density approximation calculations wereperformed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence andinter-relationship of Sr doping, magnetic structure, O displacements and phasesegregation on the Mn charge state were studied. A half-metallic state wasobtained for LSMO with manganese configuration Mn$^{3+}$, whilst Mn$^{4+}$ gaverise to a metallic state with a negligible spin polarisation at the Fermilevel. Elongating the MnO$_6$ octahedron led to a static mixed valenceMn$^{3+}$/Mn$^{4+}$ configuration. In the mixed valence state the total energywas minimized by an ordered array of Mn$^{4+}$ and Mn$^{3+}$ MnO$_2$ planeswhich showed charge ordered stripes.Comment: 13 pages, 6 figure

physical review. b, condensed matter and materials physics

Delocalization and charge disproportionation in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">La</mml:mi></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:mn /><mml:mi>−</mml:mi><mml:mi>x</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sr</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><…

Delocalization and charge disproportionation inLa(1−x)Srx<…