Metallic and semi-metallic <100> silicon nanowires

Abstract

Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a large fraction of the phase space of nanowire reconstructions. Despite their energetical equivalence, one of the reconstructions is found to be strongly metallic while the other one is semi-metallic. This electronic-structure behavior is dictated by the particular surface states of each reconstruction. These results imply that doping is not required in order to obtain good conducting Si nanowires.

arXiv comment13 pages, 4 figures; Phys. Rev. Lett., in press

References in corpus (6)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Interatomic Potential for Silicon Defects and Disordered Phases
• The role of electronic correlation in the Si(100) reconstruction: a quantum Monte Carlo study
• Nanoscale Field-Effect Transistors: An Ultimate Size Analysis
• Edge-driven transition in surface structure of nanoscale silicon

Cited by in corpus (24)

• Structural, electronic, and transport properties of silicon nanowires
• Ultralow Thermal Conductivity of Isotope-Doped Silicon Nanowires
• Electronic, Mechanical, and Piezoelectric Properties of ZnO Nanowires
• First-principles calculation of mechanical properties of Si <001> nanowires and comparison to nanomechanical theory
• First-principles study of the Young's modulus of Si <001> nanowires
• Electronic transport in Si nanowires: Role of bulk and surface disorder
• A first-principles systematic study of GaAs nanowires
• Quantum Transport Length Scales in Silicon-based Semiconducting Nanowires: Surface Roughness Effects
• Stability and plasticity of silicon nanowires: the role of wire perimeter
• First-principles Approaches to Simulate Lithiation in Silicon Electrodes
• Size effects in surface reconstructed $<100>$ and $<110>$ silicon nanowires
• Phonon Knudsen flow in nanostructured semiconductor systems
• Elastic transport through dangling-bond silicon wires on H passivated Si(100)
• The theoretical DFT study of electronic structure of thin Si/SiO2 quantum nanodots and nanowires
• Multiterminal Nanowire Junctions of Silicon: A Theoretical Prediction of Atomic Structure and Electronic Properties
• Structural stability and electronic properties of SP3 type silicon nanotubes
• Half-Metallic Silicon Nanowires: Multiple Surface Dangling Bonds and Nonmagnetic Doping
• Electronic Properties of Alkali- and Alkaline-Earth-Intercalated Silicon Nanowires
• Electronic structure and optical properties of quantum confined lead-salt nanowires
• Unconventional localization phenomena in a spatially non-uniform disordered material
• Metallic beta-phase silicon nanowires: structure and electronic properties
• Finite size effects on transport coefficients for models of atomic wires coupled to phonons
• Effect of impurities on growth and morphology of cementite nanowires
• Strange effect of disorder on electron transport through a thin film