Universität zu Köln

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:	Creators Email ORCID ORCID Put Code Zhao, Qing UNSPECIFIED UNSPECIFIED UNSPECIFIED Liu, Min UNSPECIFIED UNSPECIFIED UNSPECIFIED Dai, Jianhong UNSPECIFIED UNSPECIFIED UNSPECIFIED Yin, Yunyu UNSPECIFIED UNSPECIFIED UNSPECIFIED Zhou, Long UNSPECIFIED UNSPECIFIED UNSPECIFIED Yang, Junye UNSPECIFIED UNSPECIFIED UNSPECIFIED Hu, Zhiwei UNSPECIFIED UNSPECIFIED UNSPECIFIED Agrestini, Stefano UNSPECIFIED orcid.org/0000-0002-3625-880X UNSPECIFIED Chen, Kai UNSPECIFIED UNSPECIFIED UNSPECIFIED Pellegrin, Eric UNSPECIFIED orcid.org/0000-0002-1648-0331 UNSPECIFIED Valvidares, Manuel UNSPECIFIED UNSPECIFIED UNSPECIFIED Nataf, Lucie UNSPECIFIED UNSPECIFIED UNSPECIFIED Baudelet, Francois UNSPECIFIED UNSPECIFIED UNSPECIFIED Tjeng, L. H. UNSPECIFIED UNSPECIFIED UNSPECIFIED Yang, Yi-feng UNSPECIFIED UNSPECIFIED UNSPECIFIED Jin, Changqing UNSPECIFIED UNSPECIFIED UNSPECIFIED Long, Youwen UNSPECIFIED orcid.org/0000-0002-8587-7818 UNSPECIFIED
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:	Keywords Language HIGH-TEMPERATURE FERRIMAGNETISM; MAGNETIC-PROPERTIES; LATTICE-DISTORTION; CRYSTAL-STRUCTURE; TRANSITION Multiple languages Chemistry, Inorganic & Nuclear Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/25863