Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

Li, J.; Wang, H.; Hu, J.

doi:10.1063/1.4950952

Title: Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

Journal Article · Sat May 28 00:00:00 EDT 2016 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4950952· OSTI ID:22657829

Li, J. ^[1]; Wang, H.; Hu, J. ^[2]

State Key Laboratory of Surface Physics, Key Laboratory of Computational Physical Sciences, and Department of Physics, Fudan University, Shanghai 200433 (China)
College of Physics, Optoelectronics and Energy, Soochow University, Suzhou, Jiangsu 215006 (China)

Structural and magnetic properties of many transition-metal dimers embedded in a defected hexagonal boron nitride monolayer are investigated through density functional calculations to search for systems with magnetic anisotropy energies (MAEs) larger than 30meV. In particular, Ir–Ir@Dh–BN is found to have both large MAE (∼126 meV) and high structural stability against dissociation and diffusion, and it hence can serve as magnetic unit in spintronics and quantum computing devices. This giant MAE mainly results from the spin orbit coupling and the magnetization of the upper Ir atom, which is in a rather isolated environment.

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OSTI ID:: 22657829

Journal Information:: Journal of Chemical Physics, Vol. 144, Issue 20; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606

Country of Publication:: United States

Language:: English

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Charge-doping and chemical composition-driven magnetocrystalline anisotropy in CoPt core-shell alloy clusters Ruiz-Díaz, P.; Muñoz-Navia, M.; Dorantes-Dávila, J. Journal of Nanoparticle Research, Vol. 20, Issue 3 https://doi.org/10.1007/s11051-018-4164-z	journal	February 2018
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