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

TL;DR

This study explores how Yttrium atoms adsorb on Lithium (110) surfaces, forming various 2D structures with distinct electronic and magnetic properties, using DFT and BOLS correlation methods.

Contribution

It introduces a detailed analysis of Y adsorption on Li(110) surfaces, revealing the formation of specific 2D geometries and their magnetic moments, advancing understanding of 2D metal properties.

Findings

Y atoms form hexagon, nonagon, solid hexagonal, quadrangle, and triangle structures.

Magnetic moments vary significantly among different structures.

Work paves the way for designing new 2D metallic electronic and magnetic materials.

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.