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arXiv · 1402.0278

Magnetism and Magnetic Anisotropy of Transition Metal-Phthalocyanine Molecules

Jun Hu·Ruqian Wu
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Abstract

Search for single-molecule magnets (SMMs) with high blocking temperature (TB) is urgent for practical applications in magnetic recording, molecular spintronics and quantum computing. Based on the First-principles calculations, magnetic anisotropy energies (MAE) of the transition metal-Phthalocyanine (TM-Pc) molecules are investigated and the mechanism that determines the MAE of TM-Pc molecules is established. In particular, colossal MAE > 100 meV can be obtained by adding an Os atom on RuPc and OsPc, so these molecules may offer ultrahigh thermal stability in devices.

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Jun Hu, Ruqian Wu. 2014-02-03. Magnetism and Magnetic Anisotropy of Transition Metal-Phthalocyanine Molecules. https://arxiv.org/abs/1402.0278

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