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Register a new userQuantum Conductance in Silver Nanowires: correlation between atomic structure and transport properties
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V. Rodrigues
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We have analyzed the atomic arrangements and quantum conductance of silver nanowires generated by mechanical elongation. The surface properties of Ag induce unexpected structural properties, as for example, predominance of high aspect ratio rod-like wires. The structural behavior was used to understand the Ag quantum conductance data and the proposed correlation was confirmed by means of theoretical calculations. These results emphasize that the conductance of metal point contacts is determined by the preferred atomic structures and, that atomistic descriptions are essential to interpret the quantum transport behavior of metal nanostructures.
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We have studied the effect of thermal effects on the structural and transport response of Ag atomic-size nanowires generated by mechanical elongation. Our study involves both time-resolved atomic resolution transmission electron microscopy imaging and quantum conductance measurement using an ultra-high-vacuum mechanically controllable break junction. We have observed drastic changes in conductance and structural properties of Ag nanowires generated at different temperatures (150 and 300 K). By combining electron microscopy images, electronic transport measurements and quantum transport calculations, we have been able to obtain a consistent correlation between the conductance and structural properties of Ag NWs. In particular, our study has revealed the formation of metastable rectangular rod-like Ag wire (3/3) along the (001) crystallographic direction, whose formation is enhanced. These results illustrate the high complexity of analyzing structural and quantum conductance behaviour of metal atomic-size wires; also, they reveal that it is extremely difficult to compare NW conductance experiments performed at different temperatures due to the fundamental modifications of the mechanical behavior.
In the framework of four-band envelope-function formalism, developed earlier for spherical semiconductor nanocrystals, we study the electronic structure and optical properties of quantum-confined lead-salt (PbSe and PbS) nanowires (NWs) with a strong coupling between the conduction and the valence bands. We derive spatial quantization equations, and calculate numerically energy levels of spatially quantized states of a transverse electron motion in the plane perpendicular to the NW axis, and electronic subbands developed due to a free longitudinal motion along the NW axis. Using explicit expressions for eigenfunctions of the electronic states, we also derive analytical expressions for matrix elements of optical transitions and study selection rules for interband absorption. Next we study a two-particle problem with a conventional long-range Coulomb interaction and an interparticle coupling via medium polarization. The obtained results show that due to a large magnitude of the high-frequency dielectric permittivity of PbSe material, and hence, a high dielectric NW/vacuum contrast, the effective coupling via medium polarization significantly exceeds the effective direct Coulomb coupling at all interparticle separations along the NW axis. Furthermore, the strong coupling via medium polarization results in a bound state of the longitudinal motion of the lowest-energy electron-hole pair (a longitudinal exciton), while fast transverse motions of charge carriers remain independent of each other.
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The interaction of silver atoms is modeled by a tight-binding semiempirical interatomic potential proposed by Cleri and Rosato. The pair correlation functions and the pair analysis technique is applied to reveal the structural transition in the process of solidification. It is shown that Ag nanoparticles evolve into different nanostructures under different cooling processes. At a cooling rate of $1.5625times10^{13} Ks^{-1}$ the nanoparticles preserve an amorphous like structure containing a large amount of 1551 and 1541 pairs which correspond to the icosahedral symmetry. For a lower cooling rate ($1.5625times10^{12} Ks^{-1}$), the nanoparticles transform into a crystal-like structure consisting mainly of 1421 and 1422 pairs which correspond to the fcc and hcp structures, respectively. The variations of the electronic density of states for the differently cooled nanoparticles are small but in correspondence with the structural changes.
The influence of local oxidation in silicon nanowires on hole transport, and hence the effect of varying the oxidation state of silicon atoms at the wire surface, is studied using density functional theory in conjunction with a Greens function scattering method. For silicon nanowires with growth direction along [110] and diameters of a few nanometers, it is found that the introduction of oxygen bridging and back bonds does not significantly degrade hole transport for voltages up to several hundred millivolts relative to the valence band edge. As a result, the mean free paths are comparable to or longer than the wire lengths envisioned for transistor and other nanoelectronics applications. Transport along [100]-oriented nanowires is less favorable, thus providing an advantage in terms of hole mobilities for [110] nanowire orientations, as preferentially produced in some growth methods.
We report a correlation between the spin polarization of the tunneling electrons (TSP) and the magnetic moment of amorphous CoFeB alloys. Such a correlation is surprising since the TSP involves s-like electrons close to the Fermi level (EF), while the magnetic moment mainly arises due to all d-electrons below EF. We show that probing the s and d-bands individually provides clear and crucial evidence for such a correlation to exist through s-d hybridization, and demonstrate the tuneability of the electronic and magnetic properties of CoFeB alloys.
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