International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS) , 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.
Inorg Chem. 2013 Dec 16;52(24):14108-15. doi: 10.1021/ic401917h. Epub 2013 Dec 3.
In2NiMnO6, a new compound extending the family of double rare-earth perovskites R2NiMnO6 (R = rare earth, Y) to smaller R ions, was prepared using a high-pressure and high-temperature technique (6 GPa and 1600 K). Its crystal structure was investigated by synchrotron X-ray powder diffraction at room temperature: space group P2(1)/n (No. 14, cell choice 2), Z = 2, a = 5.13520(1) Å, b = 5.33728(1) Å, c = 7.54559(4) Å, and β = 90.1343(1)°. A significant degree of ordering of Mn(4+) and Ni(2+) ions was observed. The dc and ac magnetization and specific heat measurements showed that In2NiMnO6 is an antiferromagnet with a Néel temperature TN of 26 K. Its antiferromagnetism puts it apart from other members of the R2NiMnO6 family where a ferromagnetic ground state was observed, which is attributed to the superexchange interaction between Mn(4+) and Ni(2+) ions according to the Kanamori-Goodenough rules. A field-induced phase transition to a ferromagnetic state was observed from 18 kOe at 5 K, indicating that In2NiMnO6 is close to the antiferromagnetic-ferromagnetic transition boundary. First-principles calculations allowed us to explain its antiferromagnetism and the field-induced phase transition and predict the E* type antiferromagnetic ground state.
在 In2NiMnO6 中，一种新的化合物通过高温高压技术（6 GPa 和 1600 K）扩展了双稀土钙钛矿 R2NiMnO6（R = 稀土，Y）家族至更小的 R 离子。其晶体结构通过室温同步加速器 X 射线粉末衍射进行了研究：空间群 P2(1)/n（No. 14，晶胞选择 2），Z = 2，a = 5.13520(1) Å，b = 5.33728(1) Å，c = 7.54559(4) Å，β = 90.1343(1)°。观察到 Mn(4+)和 Ni(2+)离子具有显著程度的有序排列。直流和交流磁化强度和比热测量表明，In2NiMnO6 是一种反铁磁体，奈尔温度 TN 为 26 K。它的反铁磁性使其与 R2NiMnO6 家族的其他成员区分开来，在其他成员中观察到铁磁基态，这归因于根据 Kanamori-Goodenough 规则 Mn(4+)和 Ni(2+)离子之间的超交换相互作用。在 5 K 时从 18 kOe 观察到场诱导的铁磁态相变，表明 In2NiMnO6 接近反铁磁-铁磁相变边界。第一性原理计算允许我们解释其反铁磁性和场诱导的相变，并预测 E*型反铁磁基态。
