화학공학소재연구정보센터
Applied Surface Science, Vol.471, 1005-1010, 2019
Electronic and magnetic behaviour of 2D metal structures of Y on Li(110) surface
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.