Spin reorientation in NdFe0.5Mn0.5O3: Neutron scattering and ab initio study

Article

关键词: JAHN-TELLER DISTORTION;    MAGNETIC-STRUCTURE;    DIELECTRIC-PROPERTIES;    LOW-TEMPERATURE;    NDFEO3;    DIFFRACTION;    IONS;    SPECTROSCOPY;    EVOLUTION;    NDMNO3;   

DOI  :  10.1103/PhysRevB.96.144420

来源: SCIE

【 摘 要 】

The structural, magnetic, and electronic properties of NdFe0.5Mn0.5O3 have been studied in a comprehensive manner using various experimental and theoretical methods. Mn/Fe sublattice of the compound orders into a G-type antiferromagnetic phase close to 250K where the magnetic structure belongs to Gamma(1) irreducible representation (G(y)) unlike Gamma(4) (G(x)) representation observed in most of the orthoferrites and orthochromites. The magnetic structure undergoes a complete spin reorientation transition with temperature between 75 and 25K where the magnetic structure exists as a sum of two irreducible representations (Gamma(1) + Gamma(2)). At 1.5 K, the antiferromagnetic structure belongs entirely to Gamma(2) representation (G(z)) with a small ferromagnetic component (F-x) due to Nd. The unusual spin reorientation and correlation between magnetic ground state and electronic structure have been investigated using phenomenological theory and first-principles calculations within GGA+U and GGA+U+SO formalisms.

【 授权许可】

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