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Journal Article

High-Pressure Synthesis and Magnetism of the 4H-BaMnO3 Single Crystal and Its 6H-Type Polymorph


Hu,  Zhiwei
Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Qin, S., Chin, Y.-Y., Zhou, B., Liu, Z., Ye, X., Guo, J., et al. (2021). High-Pressure Synthesis and Magnetism of the 4H-BaMnO3 Single Crystal and Its 6H-Type Polymorph. Inorganic Chemistry, 60(21), 16308-16315. doi:10.1021/acs.inorgchem.1c02155.

Cite as: https://hdl.handle.net/21.11116/0000-0009-B65C-3
A 4H-type BaMnO3 single crystal was prepared by combining the floating zone method with high-pressure treatment at 5 GPa and 1023 K. The crystal crystallizes to a hexagonal structure with space group P6(3)/mmc and lattice parameters a = 5.63723(5) angstrom and c = 9.22355(8) angstrom. In this structure, face-sharing MnO6 octahedral dimers connect with each other by corner O atoms along the c-axis direction, forming an -A-B-A-C-type 4H arrangement. A long-range antiferromagnetic (AFM) phase transition is found to occur at T-N approximate to 263 K. When the synthesis pressure increases to 20 GPa, a new polymorphic phase is obtained. This higher-pressure phase still possesses the hexagonal P6(3)/mmc symmetry, but the lattice parameters change to be a = 5.61349(2) angstrom and c = 13.66690(9) angstrom with a unit cell volume reduction of 2.05%. In this new phase, the c-axis MnO6 dimers are separated by MnO6 octahedral layers in the ab plane, forming an -A-B-C-A-C-B-type 6H structure. The 6H phase exhibits two long-range AFM orderings at T-N1 approximate to 220 K and T-N2 approximate to 25 K, respectively. The different magnetic properties are discussed on the basis of the detailed structural constitutions of 4H- and 6H-BaMnO3.