Journal article
Enhanced magnetic anisotropy in lanthanum M-type hexaferrites by quantum-confined charge transfer
Physical review materials, Vol.5(9), 094415
09/01/2021
DOI: 10.1103/PhysRevMaterials.5.094415
Abstract
Iron-based hexaferrites are critical-element-free permanent magnet components of magnetic devices. Of particular interest is electron-doped M-type hexaferrite i.e., LaFe12O19 (LaM) in which extra electrons introduced by lanthanum substitution of barium/strontium play a key role in uplifting the magnetocrystalline anisotropy. We investigate the electronic structure of lanthanum hexaferrite using a density functional theory with localized charge density, which reproduces semiconducting behavior and identifies the origin of the very large magnetocrystalline anisotropy. Localized charge transfer from lanthanum to the iron at the crystal's 2a site produces a narrow 3d(z)(2) valence band strongly locking the magnetization along the c axis. The calculated uniaxial magnetic anisotropy energies from fully self-consistent calculations are nearly double the single-shot values, and agree well with available experiments. The chemical similarity of lanthanum to other rare earths suggests that LaM can host other rare earths possessing nontrivial 4 f electronic states for, e.g., microwave-optical quantum transduction.
Details
- Title: Subtitle
- Enhanced magnetic anisotropy in lanthanum M-type hexaferrites by quantum-confined charge transfer
- Creators
- Churna Bhandari - Ames National LaboratoryMichael E. Flatte - Eindhoven University of TechnologyDurga Paudyal - Ames National Laboratory
- Resource Type
- Journal article
- Publication Details
- Physical review materials, Vol.5(9), 094415
- DOI
- 10.1103/PhysRevMaterials.5.094415
- ISSN
- 2475-9953
- eISSN
- 2475-9953
- Publisher
- Amer Physical Soc
- Number of pages
- 9
- Grant note
- DMR1921877 / NSF; National Science Foundation (NSF) DE-AC02-07CH11358 / U.S. Department of Energy; United States Department of Energy (DOE) Critical Materials Institute, an Energy Innovation Hub - U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office; United States Department of Energy (DOE)
- Language
- English
- Date published
- 09/01/2021
- Academic Unit
- Electrical and Computer Engineering; Physics and Astronomy
- Record Identifier
- 9984428800302771
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