Journal
PHYSICAL REVIEW B
Volume 105, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.105.014406
Keywords
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Funding
- National Research Foundation of Korea [2021R1A2C1006039, 2019R1A4A1029237, 2016R1D1A1B02008461]
- KAERI Internal RD Program [524460-21]
- National Supercomputing Center KISTI [KSC-2021-CRE-0188, KSC-2020-CRE-0251]
- UNIST Supercomputing Center
- Northrop Grumman Mission Systems' University Research Program
- Naval Air Warfare Center Aircraft Division
- Army Research Laboratory [W911NF-19-2-0181]
- National Research Foundation of Korea [2021R1A2C1006039] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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In this study, we demonstrated enhanced interlayer ferromagnetic coupling in Fe3GeTe2 by manipulating the stacking symmetry and reducing the layer number. Electronic structure analysis revealed the mechanisms behind the enhancement and also showed how the coupling could be weakened by substrates due to screened Coulomb interactions.
Interlayer magnetic coupling in emerging two-dimensional layered magnets holds great potential for manipulating layered magnetic structures for cross-layer transport or tunneling phenomena. In this paper, we employed first-principles calculations to show enhanced ferromagnetic (FM) interlayer exchange coupling for Fe3GeTe2 by reducing stacking symmetry or reducing the layer number. Electronic structure analysis reveals that the former is mainly due to low-symmetry enhanced interlayer orbital hopping, and the latter originates from reduced Pauli potential for out-of-plane metallic electrons with respect to thicker layers. Interlayer FM coupling could also be weakened by substrates due to the screened Coulomb interactions, simulated by reducing the onsite Coulomb repulsion for Fe d electrons. In this paper, we provide guidance to rationally control interlayer magnetic coupling via engineering stacking configuration and dielectric environment.
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