On the properties of surface reconstructed silicon nanowires

Abstract

We study by means of density-functional calculations the role of lateral surface reconstructions in determining the electrical properties of <100> silicon nanowires. The different lateral reconstructions are explored by relaxing all the nanowires with crystalline bulk silicon structure and all possible ideal facets that correspond to an average diameter of 1.5 nm. We show that the reconstruction induces the formation of ubiquitous surface states that turn the wires into semi-metallic or metallic.

References in corpus (3)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Edge-driven transition in surface structure of nanoscale silicon

Cited by in corpus (5)

• Structural, electronic, and transport properties of silicon nanowires
• Electronic transport in Si nanowires: Role of bulk and surface disorder
• Quantum Transport Length Scales in Silicon-based Semiconducting Nanowires: Surface Roughness Effects
• Stability and plasticity of silicon nanowires: the role of wire perimeter
• Size effects in surface reconstructed $<100>$ and $<110>$ silicon nanowires