CaCu3Mn2Te2O12: An Intrinsic Ferrimagnetic Insulator Prepared Under High Pressure

• Published in: Inorganic chemistry Vol. 62; no. 51; pp. 21233 - 21239
• Main Authors: Zhao, Haoting, Bai, Yujie, Yin, Kang, Wang, Xiao, Liu, Zhehong, Ye, Xubin, Lu, Dabiao, Zhang, Jie, Pi, Maocai, Hu, Zhiwei, Lin, Hong-Ji, Chen, Chien-Te, Meng, Qingbo, Yu, Pu, Zhang, Qinfang, Long, Youwen
• Format: Journal Article
• Language: English
• Published: American Chemical Society 25.12.2023
• ISSN: 0020-1669; 1520-510X
• DOI: 10.1021/acs.inorgchem.3c03288

CaCu3Mn2Te2O12 was synthesized using high-temperature and high-pressure conditions. The compound possesses an A- and B site ordered quadruple perovskite structure in Pn3̅ symmetry with the charge combination of CaCu3 2+Mn2 2+Te2 6+O12. A ferrimagnetic phase transition originating from the antiferromagnetic interaction between A′ site Cu2+ and B site Mn2+ ions is found to occur at T C ≈ 100 K. CaCu3Mn2Te2O12 also shows insulating electric conductivity. Optical measurement demonstrates the energy bandgap to be about 1.9 eV, in agreement with the high B site degree of chemical order between Mn2+ and Te6+. The first-principles theoretical calculations confirm the Cu2+(↓)–Mn2+(↑) ferrimagnetic coupling as well as the insulating nature with an up-spin direct bandgap. The current CaCu3Mn2Te2O12 provides an intriguing example of an intrinsic ferrimagnetic insulator with promising applications in advanced spintronic devices.