Carrier-induced Noncollinear Magnetism in Perovskite Manganites by First-principles Calculation

Abstract. We have performed noncollinear first-principles density functional calculations of carrier-doped perovskite manganites La1¡xSrxMnO3 (0:0 · x · 1:0). In the calculated magnetic phase diagram (T = 0) within the collinear magnetic configurations, ferromagnetic and several antiferromagnetic configurations successively appeared as a ground state with increasing x. The calculated total energies of the ferromagnetic and A-type antiferromagnetic phases are almost degenerate around the phase boundary, x = 0:5. We found that the noncollinear magnetic configurations are stable in a wide range of carrier concentrations 0:3 · x · 0:6. We discussed the effect of lattice distortions on the stability of the noncollinear magnetic phase