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Magnetic Isotropy/Anisotropy in Layered Metal Phosphorous Trichalcogenide MPS3 (M = Mn, Fe)Single Crystals

1
National Synchrotron Radiation Laboratory, CAS Center for Excellence in Nanoscience, University of Science and Technology of China, Hefei 230029, China
2
Department of Applied Physics, University of Karachi, Karachi-75270, Pakistan
*
Author to whom correspondence should be addressed.
These two authors contributed equally in this work.
Micromachines 2018, 9(6), 292; https://doi.org/10.3390/mi9060292
Received: 12 May 2018 / Revised: 1 June 2018 / Accepted: 8 June 2018 / Published: 11 June 2018
(This article belongs to the Special Issue Atomic Scale Materials for Electronic and Photonic Devices)
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Abstract

Despite the fact that two-dimensional layered magnetic materials hold immense potential applications in the field of spintronic devices, tunable magnetism is still a challenge due to the lack of controllable synthesis. Herein, high-quality single crystals MPS3 (M= Mn, Fe) of millimeter size were synthesized through the chemical vapor transport method. After systemic structural characterizations, magnetic properties were studied on the bulk MPS3 layers through experiments, along with first principle theoretical calculations. The susceptibilities as well as the EPR results evidently revealed unique isotropic and anisotropic behavior in MnPS3 and FePS3 crystals, respectively. It is worth noting that both of these materials show antiferromagnetic states at measured temperatures. The estimated antiferromagnetic transition temperature is 78 K for bulk MnPS3 and 123 K for FePS3 crystals. The spin polarized density functional theory calculations confirmed that the band gap of the antiferromagnetic states could be generated owing to asymmetric response all over the energy range. The ferromagnetic state in MnPS3 and FePS3 is less stable as compared to the antiferromagnetic state, resulting in antiferromagnetic behavior. Additionally, frequency-dependent dielectric functions for parallel and perpendicular electric field component vectors, along with the absorption properties of MPS3, are thoroughly investigated. View Full-Text
Keywords: layered material; bulk single crystal; isotropy; anisotropy; chemical vapor transport (CVT); density-functional theory (DFT) layered material; bulk single crystal; isotropy; anisotropy; chemical vapor transport (CVT); density-functional theory (DFT)
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Ur Rehman, Z.; Muhammad, Z.; Adetunji Moses, O.; Zhu, W.; Wu, C.; He, Q.; Habib, M.; Song, L. Magnetic Isotropy/Anisotropy in Layered Metal Phosphorous Trichalcogenide MPS3 (M = Mn, Fe)Single Crystals. Micromachines 2018, 9, 292.

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