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arXiv · 1809.03407

Bond relaxation, electronic and magnetic behavior of 2D metals structures Y on Li(110) surface

Maolin Bo·Li Lei·Chuang Yao·Zhongkai Huang·Cheng Peng·Chang Q. Sun
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Abstract

We investigated the bond, electronic and magnetic behavior of adsorption Yttrium atoms on Lithium (110) surface using a combination of Bond-order-length-strength(BOLS) correlation and density-functional theory(DFT). We found that adsorption Y atoms on Li(110) surfaces form two-dimensional (2D) geometric structures of hexagon, nonagon, solid hexagonal, quadrangle and triangle. The consistent with the magnetic moment are 6.66{\mu}B, 5.54{\mu}B, 0.28{\mu}B, 1.04{\mu}B, 2.81{\mu}B, respectively. In addition, this work could pave the way for design new 2D metals electronic and magnetic properties.

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Maolin Bo, Li Lei, Chuang Yao, Zhongkai Huang, Cheng Peng, Chang Q. Sun. 2018-08-23. Bond relaxation, electronic and magnetic behavior of 2D metals structures Y on Li(110) surface. https://doi.org/10.1016/j.apsusc.2018.12.054

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