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Published on: March 24, 2019
Sparse Pd-Te Covalent Bridges Drive Anomalous Bulk-to-Monolayer Electronic and Magnetic Evolution in FePd2Te2
Huaiyuan Zhao1, Jianwen Fang1, Mohan Luo1
1Quzhou University, Quzhou, P. R. China.
Dilute covalent bridges in non-van-der-Waals magnets like FePd2Te2 enable exfoliation. Thinning reduces Curie temperature by weakening interlayer exchange, while anisotropy remains robust.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Quantum Chemistry
Background:
- Non-van-der-Waals (non-vdW) layered magnets offer unique bonding beyond dispersion-dominated stacks.
- Understanding the impact of dilute interlayer covalent bridges on bulk-to-monolayer magnetic properties is crucial.
Purpose of the Study:
- Investigate the exfoliation potential and thickness-dependent magnetic evolution of FePd2Te2 (FPT), a non-vdW layered magnet.
- Clarify the role of sparse Pd─Te covalent bridges in FPT's magnetic properties.
Main Methods:
- First-principles calculations were employed to study FePd2Te2.
- Analysis included cleavage energy, magnetic moments, exchange interactions, Curie temperature (TC), magnetocrystalline anisotropy, and magnetoelastic response.
Main Results:
- FePd2Te2 exhibits a covalent component in its Pd─Te bridges with vdW-like cleavage energy (∼0.51 J·m-2), confirming its exfoliable nature.
- Thinning FPT from bulk to monolayer slightly increases local Fe moments but significantly decreases TC (from 173 K to 27 K).
- The TC suppression is attributed to the weakening of ferromagnetic interlayer exchange (J3) and enhanced antiferromagnetic competition (J2).
- Easy-plane magnetocrystalline anisotropy remains significant and enhances with thinning, while magnetoelastic response shows dimensionality-dependent strain effects.
Conclusions:
- FePd2Te2 is identified as a representative exfoliable non-vdW magnet.
- Sparse interlayer covalent bridges critically govern the thickness-dependent magnetic evolution.
- The study clarifies the interplay between structure, bonding, and magnetic properties in layered materials.
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