Electronic and magnetic behaviour of 2D metal structures of Y on Li(110) surface

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

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Electronic and magnetic behaviour of 2D metal structures of Y on Li(110) surface

机译：Li（110）表面Y的二维金属结构的电子和磁行为

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We investigated the bond relaxation and electronic and magnetic behaviour of yttrium (Y) atoms adsorbed on lithium (Li)(1 1 0) surface by using a combination of bond-order-length-strength (BOLS) correlation and density-functional theory (DFT). We found that adsorption of Y atoms on Li(1 1 0) surfaces forms two-dimensional (2D) geometric structures of hexagon, nonagon, solid hexagon, quadrangle and triangle. Their magnetic moments are 6.66 mu B, 5.54 mu B, 2.81 mu B, 0.28 mu B and 1.04 mu B, respectively. In addition, this work could pave the way for design of new 2D metals and understanding of their electronic and magnetic properties.

机译：我们结合键序-长度-强度（BOLS）相关性和密度泛函理论，研究了锂（Li）（1 1 0）表面吸附的钇（Y）原子的键弛豫以及电子和磁行为。 DFT）。我们发现Y原子在Li（1 1 0）表面上的吸附形成了六边形，九边形，实心六边形，四边形和三角形的二维（2D）几何结构。它们的磁矩分别为6.66μB，5.54μB，2.81μB，0.28μB和1.04μB。此外，这项工作还可以为新型2D金属的设计以及对它们的电子和磁性的理解铺平道路。

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来源
《Applied Surface Science》 |2019年第31期|1005-1010|共6页
作者
Bo Maolin; Lei Li; Yao Chuang; Huang Zhongkai; Peng Cheng; Sun Chang Q.;
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作者单位

Yangtze Normal Univ, Key Lab Extraordinary Bond Engn & Adv Mat Technol, Chongqing 408100, Peoples R China;

Yangtze Normal Univ, Key Lab Extraordinary Bond Engn & Adv Mat Technol, Chongqing 408100, Peoples R China;

Yangtze Normal Univ, Key Lab Extraordinary Bond Engn & Adv Mat Technol, Chongqing 408100, Peoples R China;

Yangtze Normal Univ, Key Lab Extraordinary Bond Engn & Adv Mat Technol, Chongqing 408100, Peoples R China;

Yangtze Normal Univ, Key Lab Extraordinary Bond Engn & Adv Mat Technol, Chongqing 408100, Peoples R China;

Yangtze Normal Univ, Key Lab Extraordinary Bond Engn & Adv Mat Technol, Chongqing 408100, Peoples R China|Nanyang Technol Univ, NOVITAS, Sch Elect & Elect Engn, Singapore 639798, Singapore;

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正文语种 eng
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关键词
Two-dimensional metals; DFT; Energy shifts; Magnetic property;

机译：二维金属;DFT;能量转移;磁性能;

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Electronic and magnetic behaviour of 2D metal structures of Y on Li(110) surface

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