相关论文: First-Principles conductance of nanoscale junction…
Metallic nanowires are known to break into shorter fragments due to the Rayleigh instability mechanism. This process is strongly accelerated at elevated temperatures and can completely hinder the functioning of nanowire-based devices like…
The electron transport in a four-terminal nanodevice consisting of two crossed nanotubes is investigated in the framework of the Landauer-Buttiker formalism. The evident formula for the ballistic conductance of the device is found using a…
Energetics and conductance in jellium modelled nanowires are investigated using the local-density-functional-based shell correction method. In analogy with studies of other finite-size fermion systems, e.g., simple-metal clusters or He-3…
The influence of an intramolecular proton transfer reaction on the conductance of a molecular junction is investigated employing a generic model, which includes the effects of the electric field of the gate and leads electrodes and the…
The spin-resolved thermoelectric transport properties of correlated nanoscale junctions, consisting of a quantum dot/molecule asymmetrically coupled to external ferromagnetic contacts, are studied theoretically in the far-from-equilibrium…
We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theory, electron transmission is evaluated employing an O(N)…
Using first-principles calculations based on density functional theory combined with the non-equilibrium Green's function approach, the transport behaviors of a single-molecule junction formed by benzenedithiol connected to gold electrodes…
We consider the conductance of a one-dimensional wire interrupted by a double-barrier structure allowing for a resonant level. Using the electron-electron interaction strength as a small parameter, we are able to build a non-perturbative…
Applying ac voltages, we trapped gold nanoparticles between microfabricated electrodes under well-defined conditions. We demonstrate that the nanoparticles can be controllably fused together to form homogeneous gold nanowires with…
Macroscopic assemblies of one- and two-dimensional materials promise to translate nanoscale electronic properties into device-scale performance, yet the microscopic principles governing charge transport in such networks remain unresolved.…
By studying the time-dependent axial and radial growth of InSb nanowires, we map the conditions for the synthesis of single-crystalline InSb nanocrosses by molecular beam epitaxy. Low-temperature electrical measurements of InSb nanocross…
One of the ultimate goals of molecular electronics is to create technologies that will complement - and eventually supersede - Si-based microelectronics technologies. To reach this goal, electronic properties that mimic at least some of the…
A method is presented for approximating the effective conductivity of composite media with thin interphase regions, which is exact to first order in the interphase thickness. The approximations are computationally efficient in the sense the…
Ionic transport in nanopores is a fundamentally and technologically important problem in view of its occurrence in biological processes and its impact on novel DNA sequencing applications. Using microscopic calculations, here we show that…
We study linear electron transport through a molecular wire sandwiched between nanotube leads. We show that the presence of such electrodes strongly influences the calculated conductance. We find that depending on the quality and geometry…
We calculate the conductance of tubular-shaped nanowires having many potential scatterers at random positions. Our approach is based on the scattering matrix formalism and our results analyzed within the scaling theory of disordered…
Four samples of transparent conductive films with different numbers of silver nanorings per unit area were produced. The sheet resistance, transparency, and haze were measured for each sample. Using Monte Carlo simulation, we studied the…
We calculate the conductance through double junctions of the type M(inf.)-Sn-Mm-Sn-M(inf.) and triple junctions of the type M(inf.)-Sn-Mm-Sn-Mm-Sn-M(inf.), where M(inf.) are semi-infinite metallic electrodes, Sn are 'n' layers of…
Experimental results showing huge negative differential conductance in gold-hydrogen molecular nanojunctions are presented. The results are analyzed in terms of two-level system (TLS) models: it is shown that a simple TLS model cannot…
In this thesis we study electron transport through magnetic nanocontacts and nanowires with ab initio quantum transport calculations. The aim is to gain a thorough understanding of the interplay between electrical conduction and magnetism…