期刊
PHYSICAL REVIEW B
卷 83, 期 21, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.83.214421
关键词
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资金
- MEXT [474]
- JSPS [22-1280]
- Grants-in-Aid for Scientific Research [23246111, 19053005, 22015011, 10J01280] Funding Source: KAKEN
A superexchange mechanism between Eu2+ 4f spins via the 3d states of nonmagnetic Ti4+ ions is proposed through first-principles calculations based on a hybrid Hartree-Fock density functional approach to explain G-type antiferromagnetism in EuTiO3. This mechanism is supported by systematic calculations for related Eu2+-based perovskite oxides. In EuTiO3, the competition between the antiferromagnetic superexchange and an indirect ferromagnetic exchange via the Eu 5d states leads to a delicate balance between antiferromagnetic and ferromagnetic phases. The superexchange mechanism involving the Ti 3d states hints at the microscopic origin of the strong spin-lattice coupling in EuTiO3.
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