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Hydrogen anion as a strong magnetic mediator for obtaining high-temperature ferromagnetic semiconductors: The case of hydride double perovskites

Chao Jia1,2, Xingxing Li1,2,3,4,*, Qunxiang Li1,2,3,4,†, and Jinlong Yang1,2,3,4

  • 1Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China
  • 2Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China
  • 3Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China
  • 4Hefei National Laboratory, University of Science and Technology of China, Hefei, Anhui 230026, China

  • *lixx@ustc.edu.cn
  • †liqun@ustc.edu.cn

Phys. Rev. B 107, L140404 – Published 6 April, 2023

DOI: https://doi.org/10.1103/PhysRevB.107.L140404

Abstract

Realizing ferromagnetic (FM) semiconductors with Curie temperatures (Tc) above 300 K is highly desirable for spintronics but remains a big challenge. Up to now, the oxide double perovskite La2NiMnO6 is regarded as one of the most promising FM semiconductors, where the near-180∘ strong superexchange interaction brings its Tc up to 280 K, but it is still below room temperature. Here, we propose that, by using H− instead of O2− as magnetic mediator, the resulted perfect 180∘ bond angle and short interaction distance between magnetic ions can notably raise the Tc beyond 300 K. The idea is verified by theoretically designing a class of thermodynamically stable hydride double perovskites A2NiVH6 (A=Na,K,Rb,Cs) with ferromagnetic Tc up to 789 K. Moreover, the A2NiVH6 are identified as intriguing bipolar magnetic semiconductors with the carrier's spin orientation readily reversible by electrical gating. In addition, the possible Ni/V disorder further changes A2NiVH6 to be compensated ferrimagnetic semiconductors with vanishing magnetization, which may have unique advantages in antiferromagnetic spintronics.

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