# 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.

## Key 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.

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Source: https://tomesphere.com/paper/1902.03462