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Register a new userElectronic states and optical properties of PbSe nanorods and nanowires
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A theory of the electronic structure and excitonic absorption spectra of PbS and PbSe nanowires and nanorods in the framework of a four-band effective mass model is presented. Calculations conducted for PbSe show that dielectric contrast dramatically strengthens the exciton binding in narrow nanowires and nanorods. However, the self-interaction energies of the electron and hole nearly cancel the Coulomb binding, and as a result the optical absorption spectra are practically unaffected by the strong dielectric contrast between PbSe and the surrounding medium. Measurements of the size-dependent absorption spectra of colloidal PbSe nanorods are also presented. Using room-temperature energy-band parameters extracted from the optical spectra of spherical PbSe nanocrystals, the theory provides good quantitative agreement with the measured spectra.
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We use an empirical tight-binding approach to calculate electron and hole states in [111]-grown PbSe nanowires. We show that the valley-orbit and spin-orbit splittings are very sensitive to the atomic arrangement within the nanowire elementary cell and differ for [111]-nanowires with microscopic $D_{3d}$, $C_{2h}$ and $D_{3}$ symmetries. For the nanowire diameter below 4 nm the valley-orbit splittings become comparable with the confinement energies and the $boldsymbol{k}cdotboldsymbol{p}$ method is inapplicable. Nanowires with the $D_{3}$ point symmetry having no inversion center exhibit giant spin splitting $E = alpha k_z$, linear in one-dimensional wave vector $k_z$, with the constant $alpha$ up to 1 eV$cdot$AA.
The vibrations of gold nanowires and nanorods are investigated numerically in the framework of continuum elasticity using the Rayleigh-Ritz variational method. Special attention is paid to identify the vibrations relevant in Raman scattering experiments. A comprehensive description of the vibrations of nanorods is proposed by determining their symmetry, comparing with standing waves in the corresponding nanowires and estimating their Raman intensity. The role of experimentally relevant parameters such as the anisotropic cubic lattice structure, the presence of faceted lateral surfaces and the shape of the ends of the nanorods is evaluated. Elastic anisotropy is shown to play a significant role contrarily to the presence of facets. Localized vibrations are found for nanorods with flat ends. Their evolution as the shape of the ends is changed to half-spheres is discussed.
In this paper we review the theory of silicon nanowires. We focus on nanowires with diameters below 10 nm, where quantum effects become important and the properties diverge significantly from those of bulk silicon. These wires can be efficiently treated within electronic structure simulation methods and will be among the most important functional blocks of future nanoelectronic devices. Firstly, we review the structural properties of silicon nanowires, emphasizing the close connection between the growth orientation, the cross-section and the bounding facets. Secondly, we discuss the electronic structure of pristine and doped nanowires, which hold the ultimate key for their applicability in novel electronic devices. Finally, we review transport properties where some of the most important limitations in the performances of nanowire-based devices can lay. Many of the unique properties of these systems are at the same time defying challenges and opportunities for great technological advances.
The electronic properties and nanostructure of InAs nanowires are correlated by creating multiple field effect transistors (FETs) on nanowires grown to have low and high defect density segments. 4.2 K carrier mobilities are ~4X larger in the nominally defect-free segments of the wire. We also find that dark field optical intensity is correlated with the mobility, suggesting a simple route for selecting wires with a low defect density. At low temperatures, FETs fabricated on high defect density segments of InAs nanowires showed transport properties consistent with single electron charging, even on devices with low resistance ohmic contacts. The charging energies obtained suggest quantum dot formation at defects in the wires. These results reinforce the importance of controlling the defect density in order to produce high quality electrical and optical devices using InAs nanowires.
A theoretical study of the electronic properties of nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures.
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