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Hirofumi Akamatsu, Yu Kumagai, Fumiyasu Oba, Koji Fujita, Katsuhisa Tanaka and Isao Tanaka Strong Spin-Lattice Coupling Through Oxygen Octahedral Rotation in Divalent Europium Perovskites Advanced Functional Materials 23

Version of Record online: 19 NOV 2012 | DOI: 10.1002/adfm.201202477

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First-principles calculations reveal that in divalent europium perovskites EuMO3 (M = Ti, Zr, and Hf), antiferomagnetic superexchange interactions via nd states of the B-site M cations (n = 3, 4, and 5, respectively) are enhanced by rotations of the MO6 octahedra. The octahedral rotations involved in a structural change from cubic equation imageto orthorhombic Pbnm structures point the M nd orbitals at the Eu sites, leading to a significant overlap between the M nd and Eu 4f orbitals.

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