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Emergence of magnetic anisotropy by surface adsorption of transition metal dimers on γ-graphyne framework
S. Jana, S. Chowdhury, , A. Chakrabarti, A. Banerjee
Published in IOP Publishing Ltd
PMID: 33567421
Volume: 33
Issue: 20
In this paper a systematic study is carried out to demonstrate the structural stability and magnetic novelty of adsorbing transition metal (TM) dimers (A-B) on graphyne (GY) surface, GY@A-B. Our research points out that the dimers are strongly adsorbed onto GY due to their large natural pores and the electron affinity of the sp-hybridized carbon atoms. Electronic properties of these dimer-graphyne composite systems are of particular importance as they behave as degenerate semiconductors with partial occupation of states at E F. Furthermore, their remarkable spin polarization (>80%) at Fermi energy (E F) can be of paramount importance in spintronics applications. Most of the GY@A-B structures exhibit large magnetic anisotropies as well as magnetic moments along the out-of-plane direction with respect to the GY surface. Particularly, GY@Co-Ir, GY@Ir-Ir and GY@Ir-Os structures possess positive magnetic anisotropic energies (MAE) of 121 meV, 81 meV and 137 meV, respectively, which are comparable to other well-known TM dimer doped systems. The emergence of high MAE can be understood using the second-order perturbation theory on the basis of the strong spin-orbit coupling (SOC) between the two TMs and the degeneracy of their d-orbitals near E F. A close correspondence between the simulated and the analytical results has been established through our work. Further, a simple estimation shows that, GY@A-B structures have the potential to store data up to 64 PB m-2. These intriguing electronic characteristics along with magnetism suggest GY@A-B to be a promising material for future magnetic storage devices. © 2021 IOP Publishing Ltd.
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JournalData powered by TypesetJournal of Physics Condensed Matter
PublisherData powered by TypesetIOP Publishing Ltd