Zhao, Qing, Liu, Min, Dai, Jianhong, Yin, Yunyu, Zhou, Long, Yang, Junye, Hu, Zhiwei, Agrestini, Stefano ORCID: 0000-0002-3625-880X, Chen, Kai, Pellegrin, Eric ORCID: 0000-0002-1648-0331, Valvidares, Manuel, Nataf, Lucie, Baudelet, Francois, Tjeng, L. H., Yang, Yi-feng, Jin, Changqing and Long, Youwen ORCID: 0000-0002-8587-7818 (2016). High-Pressure Synthesis and Ferrimagnetic Ordering of the B-Site-Ordered Cubic Perovskite Pb2FeOsO6. Inorg. Chem., 55 (19). S. 9816 - 9822. WASHINGTON: AMER CHEMICAL SOC. ISSN 1520-510X

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Abstract

Pb2FeOsO6 was prepared for the first time by using high-pressure and high-temperature synthesis techniques. This compound crystallizes into a B-site-ordered double-perovskite structure with cubic symmetry Fm (3) over barm, where the Fe and Os atoms are orderly distributed with a rock-salt-type manner. Structure refinement shows an Fe-Os antisite occupancy of about 16.6%. Structural analysis and X-ray absorption spectroscopy both demonstrate the charge combination to be Pb2Fe3+Os5+O6. A long-range ferrimagnetic transition is found to occur at about 280 K due to antiferromagnetic interactions between the adjacent Fe3+ and Os5+ spins with a straight (180 degrees) Fe-O-Os bond angle, as confirmed by X-ray magnetic circular-dichroism measurements. First-principles theoretical calculations reveal the semiconducting behavior as well as the Fe3+(up arrow)Os5+(down arrow,) antiferromagnetic coupling originating from the superexchange interactions between the half-filled 3d orbitals of Fe and t(2g) orbitals of Os.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Zhao, QingUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Liu, MinUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Dai, JianhongUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Yin, YunyuUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Zhou, LongUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Yang, JunyeUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hu, ZhiweiUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Agrestini, StefanoUNSPECIFIEDorcid.org/0000-0002-3625-880XUNSPECIFIED
Chen, KaiUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Pellegrin, EricUNSPECIFIEDorcid.org/0000-0002-1648-0331UNSPECIFIED
Valvidares, ManuelUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Nataf, LucieUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Baudelet, FrancoisUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tjeng, L. H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Yang, Yi-fengUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Jin, ChangqingUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Long, YouwenUNSPECIFIEDorcid.org/0000-0002-8587-7818UNSPECIFIED
URN: urn:nbn:de:hbz:38-258631
DOI: 10.1021/acs.inorgchem.6b01649
Journal or Publication Title: Inorg. Chem.
Volume: 55
Number: 19
Page Range: S. 9816 - 9822
Date: 2016
Publisher: AMER CHEMICAL SOC
Place of Publication: WASHINGTON
ISSN: 1520-510X
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
HIGH-TEMPERATURE FERRIMAGNETISM; MAGNETIC-PROPERTIES; LATTICE-DISTORTION; CRYSTAL-STRUCTURE; TRANSITIONMultiple languages
Chemistry, Inorganic & NuclearMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/25863

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