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Deposition Morphology and Magnetism of Co, Pt Adatoms and Small CoPt Adclusters on Ni(100) Substrate

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Abstract

Theoretical calculations of Co\(_{n-x}\)Pt\(_x\) (n = 1–3; \(x \le n\)) clusters on Ni(100) surface for their spin and orbital magnetic moments, as well as the magnetic anisotropy energy (MAE), are performed by using the density-functional theory (DFT) method including a self-consistent treatment of spin–orbit coupling (SOC). The results reveal that the ferromagnetic Co atoms in intra Co\(_{n-x}\)Pt\(_x\) adclusters couple ferromagnetically to their underlayer Ni atoms. The predominant inter-interactions between Co adatoms and Ni surface with the partly filled 3d band, together with the secondary intra-interactions between Co adatoms and Pt adatoms with fully filled 5d band, lead to a strongly quenched orbital moment (\(\mu _{\mathrm{{orb}}}^{\mathrm{{Co}}}\) = 0.18–0.14 \(\mu _B\); \(\mu _{\mathrm{{orb}}}^{\mathrm{{Pt}}} \approx \) 0.24–0.19 \(\mu _B\)) but a less quenched spin moment (\(\mu _{\mathrm{{spin}}}^{\mathrm{{Co}}} \approx \) 2.0 \(\mu _B\); \(\mu _{\mathrm{{spin}}}^{\mathrm{{Pt}}} \approx \) 0.35 \( \mu _B\)). The MAEs of CoPt adclusters exhibit a strong dependence on alloying effect rather than size effect, which is direly proportional to SOC strength and orbital moment anisotropy. The oxidations of CoPt clusters always reduce orbital magnetic moments and consequently decrease the corresponding MAEs.

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Acknowledgments

This work was supported by the National Natural Science Foundation of China (Project Nos. 10904125 and 91121013), the National College Students’ Innovation and Entrepreneurship Training Program (Project No. 20130635060), and the Fundamental Research Funds for the Central Universities (Project No. XDJK2012B008).

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Authors and Affiliations

  1. School of Physical Science and Technology, Southwest University, Chongqing, 400715, China

    J. Chen, T. W. Zhou, H. Chen & H. K. Yuan

  2. School of Automation and Information Engineering, Xi’an University of Technology, Xi’an, 710048, China

    H. Cui

  3. School of Electronic Engineering, Shanxi Aviation Professional Technical Institute, Shanxi, 723102, China

    G. Q. Wang

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Chen, J., Cui, H., Wang, G.Q. et al. Deposition Morphology and Magnetism of Co, Pt Adatoms and Small CoPt Adclusters on Ni(100) Substrate. J Clust Sci 27, 947–964 (2016). https://doi.org/10.1007/s10876-016-0976-0

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