Effects of filling, strain, and electric field on the Néel vector in antiferromagnetic CrSb
Abstract
CrSb is a layered antiferromagnet (AFM) with perpendicular magnetic anisotropy, a high Néel temperature, and large spin-orbit coupling (SOC), which makes it interesting for AFM spintronic applications. To elucidate the various mechanisms of Néel vector control, the effects of strain, band filling, and electric field on the magnetic anisotropy energy (MAE) of bulk and thin-film CrSb are determined and analyzed using density functional theory. The MAE of the bulk crystal is large (1.2 meV per unit cell). Due to the significant ionic nature of the Cr-Sb bond, finite slabs are strongly affected by end termination. Truncation of the bulk crystal to a thin film with one surface terminated with Cr and the other surface terminated with Sb breaks inversion symmetry, creates a large charge dipole and average electric field across the film, and breaks spin degeneracy, such that the thin film becomes a ferrimagnet. The MAE is reduced such that its sign can be switched with realistic strain, and the large SOC gives rise to an intrinsic voltage controlled magnetic anisotropy. A slab terminated on both faces with Cr remains a compensated AFM, but with the compensation occurring nonlocally between mirror-symmetric Cr pairs. In-plane alignment of the moments is preferred,more »
- Publication Date:
- Research Org.:
- Univ. of California, Riverside, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Spins and Heat in Nanoscale Electronic Systems (SHINES)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1851740
- Grant/Contract Number:
- SC0012670
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B
- Additional Journal Information:
- Journal Volume: 102; Journal Issue: 22; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Park, In Jun, Kwon, Sohee, and Lake, Roger K. Effects of filling, strain, and electric field on the Néel vector in antiferromagnetic CrSb. United States: N. p., 2020.
Web. doi:10.1103/physrevb.102.224426.
Park, In Jun, Kwon, Sohee, & Lake, Roger K. Effects of filling, strain, and electric field on the Néel vector in antiferromagnetic CrSb. United States. https://doi.org/10.1103/physrevb.102.224426
Park, In Jun, Kwon, Sohee, and Lake, Roger K. Tue .
"Effects of filling, strain, and electric field on the Néel vector in antiferromagnetic CrSb". United States. https://doi.org/10.1103/physrevb.102.224426. https://www.osti.gov/servlets/purl/1851740.
@article{osti_1851740,
title = {Effects of filling, strain, and electric field on the Néel vector in antiferromagnetic CrSb},
author = {Park, In Jun and Kwon, Sohee and Lake, Roger K.},
abstractNote = {CrSb is a layered antiferromagnet (AFM) with perpendicular magnetic anisotropy, a high Néel temperature, and large spin-orbit coupling (SOC), which makes it interesting for AFM spintronic applications. To elucidate the various mechanisms of Néel vector control, the effects of strain, band filling, and electric field on the magnetic anisotropy energy (MAE) of bulk and thin-film CrSb are determined and analyzed using density functional theory. The MAE of the bulk crystal is large (1.2 meV per unit cell). Due to the significant ionic nature of the Cr-Sb bond, finite slabs are strongly affected by end termination. Truncation of the bulk crystal to a thin film with one surface terminated with Cr and the other surface terminated with Sb breaks inversion symmetry, creates a large charge dipole and average electric field across the film, and breaks spin degeneracy, such that the thin film becomes a ferrimagnet. The MAE is reduced such that its sign can be switched with realistic strain, and the large SOC gives rise to an intrinsic voltage controlled magnetic anisotropy. A slab terminated on both faces with Cr remains a compensated AFM, but with the compensation occurring nonlocally between mirror-symmetric Cr pairs. In-plane alignment of the moments is preferred, the magnitude of the MAE remains large, similar to that of the bulk, and it is relatively insensitive to filling.},
doi = {10.1103/physrevb.102.224426},
journal = {Physical Review. B},
number = 22,
volume = 102,
place = {United States},
year = {Tue Dec 01 00:00:00 EST 2020},
month = {Tue Dec 01 00:00:00 EST 2020}
}
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