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DOE OSTI · 3385034

Small Co-doping induced magnetic and electrical transitions in single crystal CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3

Xia, Hailiang [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics] (ORCID:0009000841341895)·Liu, Zhehong [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000167316040)·Wu, Yan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000031566614X)·Sun, Qian [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics]·Hayashi, Naoaki [Research Institute for Production Development, Kyoto (Japan)]·Shen, Xi [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000346772455)·Cao, Huibo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000259704980)·dela Cruz, Clarina R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000342332145)·Yu, Richeng [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000280860910)·Yang, Yi-feng [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000267026091)·Takano, Mikio [Research Institute for Production Development, Kyoto (Japan)]·Long, Youwen [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000285877818)
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Abstract

CaFe⁢O 3 and CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 single crystals were grown by combing floating-zone method with high oxygen pressure treatment. Both crystals show charge disproportionation of Fe (F⁡e 4+ → F⁡e 3+ + F⁡e 5+ ) accompanied by a metal-to-insulator transition as well as a crystal structural transformation from Pbnm to 𝑃⁢2 1 /𝑛. However, the slight introduction of Co significantly suppresses the critical temperature of charge disproportionation from 290 K in CaFe⁢O 3 to 260 K in CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 . Different from the single antiferromagnetic phase transition as observed in the polycrystalline CaFe⁢O 3 , two sequential antiferromagnetic transitions are found to occur in these two single crystals with the Néel temperatures around 119 and 112 K for CaFe⁢O 3 crystal and 109 and 98 K for CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 crystal, respectively. Neutron diffraction illustrates the formation of a spiral antiferromagnetic structure. Moreover, as the temperature further decreases to 65 K, a third magnetic transition accompanied by a second electrical transition is observed in the slightly Co-doped CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 crystal. In conclusion, first-principles calculations suggest that the introduction of a moderate amount of Co and the peculiar spiral spin texture play an important role in the presence of such new magnetic and electrical transitions.

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Xia, Hailiang [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics] (ORCID:0009000841341895), Liu, Zhehong [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000167316040), Wu, Yan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000031566614X), Sun, Qian [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics], Hayashi, Naoaki [Research Institute for Production Development, Kyoto (Japan)], Shen, Xi [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000346772455), Cao, Huibo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000259704980), dela Cruz, Clarina R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000342332145), Yu, Richeng [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000280860910), Yang, Yi-feng [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000267026091), Takano, Mikio [Research Institute for Production Development, Kyoto (Japan)], Long, Youwen [Chinese Academy of Sciences (CAS), Beijing (China). Institute of Physics; University of Chinese Academy of Sciences, Beijing (China)] (ORCID:0000000285877818). 2026-06-18. Small Co-doping induced magnetic and electrical transitions in single crystal CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3. https://doi.org/10.1103/lssr-fzlr

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