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High-Temperature Ferrimagnetic Half Metallicity with Wide Spin-up Energy Gap in NaCu3Fe2Os2O12
Xiao Wang1,2, Min Liu1, Xudong Shen1,2
1Beijing National Laboratory for Condensed Matter Physics, Institute of Physics , Chinese Academy of Sciences , Beijing 100190 , China.
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+/Os5.5+. The three transition metals all take part in magnetic interactions and generate strong Cu2+(↑)Fe3+(↑)Os5.5+(↓) 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.
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