High temperature ferrimagnetic semiconductors by spin-dependent doping in high temperature antiferromagnets

To realize room temperature ferromagnetic (FM) semiconductors is still a challenge in spintronics. Many antiferromagnetic (AFM) insulators and semiconductors with high Neel temperature TN are obtained in experiments, such as LaFeO3, BiFeO3, etc. High concentrations of magnetic impurities can be doped into these AFM materials, but AFM state with very tiny net magnetic moments was obtained in experiments because the magnetic impurities were equally doped into the spin up and down sublattices of the AFM materials. Here, we propose that the effective magnetic field provided by a FM substrate could guarantee the spin-dependent doping in AFM materials, where the doped magnetic impurities prefer one sublattice of spins, and the ferrimagnetic (FIM) materials are obtained. To demonstrate this proposal, we study the Mn-doped AFM insulator LaFeO3 with FM substrate of Fe metal by the density functional theory (DFT) calculations. It is shown that the doped magnetic Mn impurities prefer to occupy one sublattice of the AFM insulator and introduce large magnetic moments in La(Fe, Mn)O3. For the AFM insulator LaFeO3 with high TN = 740 K, several FIM semiconductors with high Curie temperature TC > 300 K and the band gap less than 2 eV are obtained by DFT calculations when 1/8 or 1/4 Fe atoms in LaFeO3 are replaced by the other 3d, 4d transition metal elements. The large magneto-optical Kerr effect (MOKE) is obtained in these LaFeO3-based FIM semiconductors. In addition, the FIM semiconductors with high TC are also obtained by spin-dependent doping in some other AFM materials with high TN, including BiFeO3, SrTcO3, CaTcO3, etc. Our theoretical results propose a way to obtain high TC FIM semiconductors by spin-dependent doping in high TN AFM insulators and semiconductors.

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Publication Details

Journal
npj Computational Materials
Published
2024-09-03
DOI
https://doi.org/10.1038/s41524-024-01362-y
Citations
6
Primary Topic
Magnetic and transport properties of perovskites and related materials
Type
article
Field-Weighted Citation Impact
0.71

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article

High temperature ferrimagnetic semiconductors by spin-dependent doping in high temperature antiferromagnets

Gang Su, Bo Gu, Jia-Wen Li
6 citations
npj Computational Materials
Magnetic and transport properties of perovskites and related materials
0.71
article

High temperature ferrimagnetic semiconductors by spin-dependent doping in high temperature antiferromagnets

Gang Su, Bo Gu, Jia-Wen Li
article en
6 citations

Abstract

To realize room temperature ferromagnetic (FM) semiconductors is still a challenge in spintronics. Many antiferromagnetic (AFM) insulators and semiconductors with high Neel temperature TN are obtained in experiments, such as LaFeO3, BiFeO3, etc. High concentrations of magnetic impurities can be doped into these AFM materials, but AFM state with very tiny net magnetic moments was obtained in experiments because the magnetic impurities were equally doped into the spin up and down sublattices of the AFM materials. Here, we propose that the effective magnetic field provided by a FM substrate could guarantee the spin-dependent doping in AFM materials, where the doped magnetic impurities prefer one sublattice of spins, and the ferrimagnetic (FIM) materials are obtained. To demonstrate this proposal, we study the Mn-doped AFM insulator LaFeO3 with FM substrate of Fe metal by the density functional theory (DFT) calculations. It is shown that the doped magnetic Mn impurities prefer to occupy one sublattice of the AFM insulator and introduce large magnetic moments in La(Fe, Mn)O3. For the AFM insulator LaFeO3 with high TN = 740 K, several FIM semiconductors with high Curie temperature TC > 300 K and the band gap less than 2 eV are obtained by DFT calculations when 1/8 or 1/4 Fe atoms in LaFeO3 are replaced by the other 3d, 4d transition metal elements. The large magneto-optical Kerr effect (MOKE) is obtained in these LaFeO3-based FIM semiconductors. In addition, the FIM semiconductors with high TC are also obtained by spin-dependent doping in some other AFM materials with high TN, including BiFeO3, SrTcO3, CaTcO3, etc. Our theoretical results propose a way to obtain high TC FIM semiconductors by spin-dependent doping in high TN AFM insulators and semiconductors.

npj Computational MaterialsVol. 10(1)
Kavli Institute for Theoretical Sciences (CN), University of Chinese Academy of Sciences (CN)
National Natural Science Foundation of China, Chinese Academy of Sciences
Openalex Percentile: Top 35%
Magnetic and transport properties of perovskites and related materials
0.71
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