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Title: Tuning electronic and magnetic properties of monolayer ?-RuCl3 by in-plane strain
Authors: İyikanat, Fadıl
Yağmurcukardeş, Mehmet
Senger, Ramazan Tuğrul
Şahin, Hasan
İyikanat, Fadıl
Senger, Ramazan Tuğrul
Şahin, Hasan
Yağmurcukardeş, Mehmet
Izmir Institute of Technology. Physics
Izmir Institute of Technology. Photonics
Keywords: Antiferromagnetics
Magnetic anisotropy
Density Functional Theory
Issue Date: 2018
Publisher: Royal Society of Chemistry
Source: İyikanat, F., Yağmurcukardeş, M., Senger, R. T., and Şahin, H. (2018). Tuning electronic and magnetic properties of monolayer α-RuCl3 by in-plane strain. Journal of Materials Chemistry C, 6(8), 2019-2025. doi:10.1039/c7tc05266a
Abstract: By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer α-RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 μB and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer α-RuCl3 is a promising material in nanoscale device applications.
ISSN: 2050-7534
Appears in Collections:Photonics / Fotonik
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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