@article{bc23180925ac46e0b4041cd6eab60d12,
title = "High-Pressure Synthesis of Polar and Antiferromagnetic Mn2MnMoO6",
abstract = "Polar and magnetic Mn2MnMoO6 with a Ni3TeO6-type structure (R3) was synthesized at 1673 K under 8 GPa. Mn2MnMoO6 shows a large spontaneous polarization of 65.76 μC·cm-2, two magnetic transitions at 19 and 47 K, and a strong magnetic frustration factor (f) of 18.4. The polarization reversal barrier is estimated to be 232 meV. X-ray absorption spectroscopy established Mn22+Mn2+Mo6+O6 formal oxidation states. Theoretical calculations indicate an antiferromagnetic ground state of up-down-up-down-up-down spin alignment for Mn ions and a semiconductor characteristic with a band gap around 1.06 eV. Magnetism-dependent dielectric responses show no magnetodielectric and electric coupling, which is attributed to the high polarization reversal barrier and grain boundary effects.",
author = "Shuang Zhao and Yang, {Jin Jin} and Han, {Yi Feng} and Wu, {Mei Xia} and Mark Croft and Stephens, {Peter W.} and David Walker and Martha Greenblatt and Li, {Man Rong}",
note = "Funding Information: This work was financially supported by the National Natural Science Foundation of China (NSFC-21875287, 22090041, 11804404, and 22105228), the China Postdoctoral Science Foundation (2021M693603), the Program for Guangdong Introducing Innovative and Entrepreneurial Teams (2017ZT07C069), and the National Natural Science Foundation of Guangdong Province (Grant No. c18140500000854). The calculations were conducted at the National Supercomputer Center in Guangzhou. The authors thank Dr. Christoph P. Grams and Joachim Hemberger at Universit{\"a}tzu K{\"o}ln for their help in magnetic measurements. Use of the NSLS, Brookhaven National Laboratory, was supported by the DOE BES (DE-AC02-98CH10886) Publisher Copyright: {\textcopyright} 2022 American Chemical Society",
year = "2022",
month = feb,
day = "22",
doi = "10.1021/acs.chemmater.1c04357",
language = "English (US)",
volume = "34",
pages = "1930--1936",
journal = "Chemistry of Materials",
issn = "0897-4756",
publisher = "American Chemical Society",
number = "4",
}