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Surface geometry and magnetism of Eu@C60 monolayer on Ag(111)

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Abstract

The surface geometry, electronic structure, and magnetism of Eu@C60 monolayer absorbed on Ag (111) have been investigated within the framework of density functional theory. The Eu@C60 monolayer has been constructed on Ag(111) substrate by one of the hexagon faces of C60 downward and its mirror plane face parallel to Ag(111). The Eu@C60 monolayer induces a reconstruction of the Ag(111) substrate and the perpendicular distance between the Eu@C60 and Ag(111) surface is 2.06 Å, being shorter than that between C60 and Ag(111) surface by 0.05 Å. There is no chemical bond formed between the Eu@C60 and Ag (111), and only 0.55e transferred from Ag(111) to Eu@C60. A large magnetic moment about 6.80 μ B per unit cell is found for Eu@C60/Ag(111) system.

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Authors and Affiliations

  1. Department of Physics, Hebei Normal University, and Hebei Advanced Thin Film Laboratory, Shijiazhuang, 050016, China

    ZhiWei Zhao, Jing Wang & Ying Liu

  2. National Key Laboratory for Materials Simulation and Design, Beijing, 100083, China

    ZhiWei Zhao, Jing Wang & Ying Liu

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  1. ZhiWei Zhao
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  2. Jing Wang
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  3. Ying Liu
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Correspondence to Ying Liu.

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Recommended by LI ShuShen (CAS Academician)

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Zhao, Z., Wang, J. & Liu, Y. Surface geometry and magnetism of Eu@C60 monolayer on Ag(111). Sci. China Phys. Mech. Astron. 55, 1589–1593 (2012). https://doi.org/10.1007/s11433-012-4849-8

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  • DOI: https://doi.org/10.1007/s11433-012-4849-8

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