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

doi:10.1016/j.apsusc.2018.12.054

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

Materials Science 2018-12-26 v1

Authors: 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.

Keywords

yttrium adsorption li(110) surface 2d metal structures bond relaxation electronic properties magnetic behavior bols correlation density functional theory

Cite

@article{arxiv.1809.03407,
  title  = {Bond relaxation, electronic and magnetic behavior of 2D metals structures Y on Li(110) surface},
  author = {Maolin Bo and Li Lei and Chuang Yao and Zhongkai Huang and Cheng Peng and Chang Q. Sun},
  journal= {arXiv preprint arXiv:1809.03407},
  year   = {2018}
}

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

Abstract

Keywords

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