Mechanical Properties of Silicon Nanowires with Native Oxide Surface State

TL;DR

This study uses molecular dynamics simulations to explore how native oxide layers affect the mechanical properties and deformation behavior of silicon nanowires, considering various parameters for more realistic modeling.

Contribution

It introduces the consideration of native oxide layers in simulations, providing new insights into size-dependent elastic and strength properties of silicon nanowires.

Findings

Native oxide layers influence tensile strength and ductility.

Surface effects significantly alter mechanical behavior.

Size and shape impact elastic properties.

Abstract

Silicon nanowires have attracted considerable interest due to their wide-ranging applications in nanoelectromechanical systems and nanoelectronics. Molecular dynamics simulations are powerful tools for studying the mechanical properties of nanowires. However, these simulations encounter challenges in interpreting the mechanical behavior and brittle to ductile transition of silicon nanowires, primarily due to surface effects such as the assumption of an unreconstructed surface state. This study specifically focuses on the tensile deformation of silicon nanowires with a native oxide layer, considering critical parameters such as cross-sectional shape, length-to-critical dimension ratio, temperature, the presence of nano-voids, and strain rate. By incorporating the native oxide layer, the article aims to provide a more realistic representation of the mechanical behavior for different critical dimensions and crystallographic orientations of silicon nanowires. The findings contribute to the advancement of knowledge regarding size-dependent elastic properties and strength of silicon nanowires.