High-Temperature Ferrimagnetic Half Metallicity with Wide Spin-up Energy Gap in NaCu3Fe2Os2O12

Xiao Wang; Min Liu; Xudong Shen; Zhehong Liu; Zhiwei Hu; Kai Chen; Philippe Ohresser; Lucie Nataf; François Baudelet; Hong-Ji Lin; Chien-Te Chen; Yun-Liang Soo; Yi-Feng Yang; Changqing Jin; Youwen Long

doi:10.1021/acs.inorgchem.8b02404

High-Temperature Ferrimagnetic Half Metallicity with Wide Spin-up Energy Gap in NaCu₃Fe₂Os₂O₁₂

Inorg Chem. 2019 Jan 7;58(1):320-326. doi: 10.1021/acs.inorgchem.8b02404. Epub 2018 Dec 11.

Authors

Xiao Wang^{1

2}, Min Liu¹, Xudong Shen^{1

2}, Zhehong Liu^{1

2}, Zhiwei Hu³, Kai Chen⁴, Philippe Ohresser⁴, Lucie Nataf⁴, François Baudelet⁴, Hong-Ji Lin⁵, Chien-Te Chen⁵, Yun-Liang Soo⁵, Yi-Feng Yang^{1

2}, Changqing Jin^{1

2}, Youwen Long^{1

2

6}

Affiliations

¹ Beijing National Laboratory for Condensed Matter Physics, Institute of Physics , Chinese Academy of Sciences , Beijing 100190 , China.
² School of Physical Sciences , University of Chinese Academy of Sciences , Beijing 100049 , China.
³ Max Planck Institute for Chemical Physics of Solids , Dresden 01187 , Germany.
⁴ Synchrotron SOLEIL , L'Orme des Merisiers, Saint-Aubin, BP 48 , 91192 Gif-sur-Yvette , Cedex, France.
⁵ National Synchrotron Radiation Research Center , Hsinchu 30076 , Taiwan , ROC.
⁶ Songshan Lake Materials Laboratory , Dongguan , Guangdong 523808 , China.

PMID: 30525537
DOI: 10.1021/acs.inorgchem.8b02404

Abstract

A new oxide NaCu₃Fe₂Os₂O₁₂ is synthesized using high pressure and temperature conditions. The Rietveld structural analysis shows that the compound possesses both A- and B-site ordered quadruple perovskite structure in Pn3̅ symmetry. The valence states of transition metals are confirmed to be Cu²⁺/Fe³⁺/Os^5.5+. The three transition metals all take part in magnetic interactions and generate strong Cu²⁺(↑)Fe³⁺(↑)Os^5.5+(↓) ferrimagnetic superexchange interactions with a high Curie temperature about 380 K. Electrical transport measurements suggest its half-metallic properties. The first-principles theoretical calculations demonstrate that the compound has a spin-down conducting band and a spin-up insulating band with a wide energy gap.