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• W4384700527 abstract "Monolayers of polypthalocyanines with embedded transition metal (Fe, Ni, Co) exhibit interesting semiconducting properties and displays half-metallic magnetic behavior simultaneously. It has a great potential for spintronic applications. The origin of the magnetocrystalline anisotropy, magnetic anisotropy energy and magnetic order that influences magnetic domain switching with applied external magnetic field for transition metal based polypthalocyanines is explored in this work utilizing spin-polarized generalized gradient approximation in the range of Quantum atomic tool kit. Magnetic moments of the TM atoms and exchange-correleation energies for ferromagnetic and anti-ferromagnetic configurations are calculated. It is found that the difference for these energies, which is proportional to magnetic anisotropy, vanishes for Ni-polypthalocyanines, and gives the real system to have both domains with ferromagnetic or anti-ferromagnetic exchange–correlation energies due to minor defects. Also, experimentally measured M-H hysteresis for Fe-PPC with an average thickness of 25 nm shows anomalous magnetic behavior: the magnetization overpasses the saturation and suppresses any further enhancement with the applied magnetic field. Ni-PPC also shows a similar weak effect at room temperature. These measurements are performed at 2.5 K and 297 K for the magnetic fields applied in the out-of-plane and in-plane directions of the surface. The derived results, where magnetic anisotropy energy for Ni-polypthalocyanines is vanished for monolayers and support the anomalies of the hysteresis, which occurs due to magnetic anisotropy in the ferromagnetic-antiferromagnetic intermixed system." @default.
• W4384700527 created "2023-07-20" @default.
• W4384700527 creator A5034968515 @default.
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• W4384700527 date "2023-10-01" @default.
• W4384700527 modified "2023-10-12" @default.
• W4384700527 title "Magnetic anomalies in polyphthalocyanines with Fe-, Ni- and Co- magnetic centers" @default.
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• W4384700527 doi "https://doi.org/10.1016/j.physe.2023.115795" @default.
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