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Issue 26, 2015

Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet

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Abstract

Large magnetocrystalline anisotropy energy (MAE) is a critical requirement for nanomagnets for applications in magnetic memory and storage devices. Due to small spin–orbit interaction the MAE of ferromagnetic films or single molecule magnets based on 3d metals is small and in typical magnetic nanostructures it is of the order of 2–3 meV. We show that MAE as high as 140 meV can be achieved by applying an external electric field or a biaxial tensile strain to phthalocyanine sheets decorated by 5d transition metal atoms such as Os and Ir. Our observation is based on a systematic study of 5d transition metal absorbed ploy phthalocyanine (Pc) sheets using first-principles density functional theory (DFT) combined with self consistently determined Hubbard U that accounts for the strong correlation energy. We attribute the high MAE values to dxy and dx2y2 (dxz and dyz) interaction in Ir (Os) adsorbed structure.

Graphical abstract: Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet

Supplementary files

Article information


Submitted
16 Mar 2015
Accepted
27 May 2015
First published
05 Jun 2015

Phys. Chem. Chem. Phys., 2015,17, 17182-17189
Article type
Paper

Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet

J. Zhou, Q. Wang, Q. Sun, Y. Kawazoe and P. Jena, Phys. Chem. Chem. Phys., 2015, 17, 17182 DOI: 10.1039/C5CP01525A

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