Stiff monatomic gold wires with a spinning zigzag geometry

TL;DR

This study uses first principles calculations to reveal that gold monatomic wires naturally adopt a stable zigzag shape that can spin at room temperature, explaining their unusual properties and stability.

Contribution

It demonstrates the stability of zigzag-shaped gold monatomic wires and explains their properties through a simple free electron model, highlighting the role of transverse quantization.

Findings

Gold monatomic wires form a stable zigzag structure.

Wires spin at room temperature, affecting observed interatomic distances.

Stability is due to transverse quantization in the wire.

Abstract

Using first principles density functional calculations, gold monatomic wires are found to exhibit a zigzag shape which remains under tension, becoming linear just before breaking. At room temperature they are found to spin, what explains the extremely long apparent interatomic distances shown by electron microscopy.The zigzag structure is stable if the tension is relieved, the wire holding its chainlike shape even as a free-standing cluster. This unexpected metallic-wire stiffness stems from the transverse quantization in the wire, as shown in a simple free electron model.