Abstract

We have performed noncollinear first-principles density-functional calculations of carrier-doped perovskitemanganites La1−xSrxMnO3 (0.0≤x≤1.0). In the calculated magnetic phase diagram(T = 0) within the collinear magnetic configurations, ferromagnetic and severalantiferromagnetic configurations successively appeared as a ground state with increasingx. The calculated total energies of the ferromagnetic and A-typeantiferromagnetic phases are almost degenerate around the phase boundary,x = 0.5. Wefound that the noncollinear magnetic configurations are stable in a wide range of carrier concentrations0.3≤x≤0.6. We discuss the effect of lattice distortions on the stability of the noncollinear magneticphase.

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