Abstract
The semi-quantum two-orbital exchange model is used to investigate the effect of small rare-earth ion substitution on orthorhombic RMnO3 with A-type antiferromagnetic order, using the Monte Carlo algorithm, exact diagonalization, and zero-temperature optimization approaches. It is revealed that the substitution results in a rich multiferroic phase diagram where the coexisting A-type antiferromagnetic phase and spiral spin phase, pure spiral spin phase, coexisting spiral spin phase, the E-type antiferromagnetic phase, and the pure E-type antiferromagnetic phase emerge in sequence. The multiferroic phase transitions modulate substantially the electric polarization, which is consistent qualitatively with recent experiments.
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