Self- texturizing electronic-properties in a 2-dimensional GdAu2 layer on Au(111): the role of out-of-plane atomic displacement

TL;DR

This study reveals how nanoscale out-of-plane atomic displacements in a 2D GdAu2 layer on Au(111) can self-texturize electronic properties, including energy gap opening and altered chemical reactivity, driven by structural relaxation and lattice mismatch.

Contribution

It demonstrates that layer buckling due to lattice mismatch induces local electronic modifications in a 2D GdAu2 layer, linking structural relaxation to electronic property control.

Findings

Out-of-plane displacement opens a ~0.5 eV energy gap.

Layer buckling patterns Gd-d state character.

Structural relaxation correlates with electronic property changes.

Abstract

Here, we show that the electronic properties of a surface-supported 2-dimensional (2D) layer structure can be self-texturized at the nanoscale. The local electronic properties are determined by structural relaxation processes through variable adsorption stacking configurations. We demonstrate that the spatially modulated layer-buckling, which arises from the lattice mismatch and the layer/substrate coupling at the GdAu2/Au(111) interface, is sufficient to locally open an energy gap of ~0.5eV at the Fermi level in an otherwise metallic layer. Additionally, this out-of-plane displacement of the Gd atoms patterns the character of the hybridized Gd-d states and shifts the center of mass of the Gd 4f multiplet proportionally to the lattice distortion. These findings demonstrate the close correlation between the electronic properties of the 2D-layer and its planarity. We demonstrate that the resulting template shows different chemical reactivity which may find important applications.