相关论文: Electron transport properties of sub-3-nm diameter…
We study the performance of two different electrode models in quantum transport calculations based on density functional theory: Parametrized Bethe lattices and quasi-one dimensional wires or nanowires. A detailed account of implementation…
To investigate cylindrical ultrathin copper nanowires, we performed atomistic simulations using the steepest descent method. The stable structures of the cylindrical ultrathin copper nanowires were multi-shell packs composed of coaxial…
We compute both electron- and phonon transmissions in thin disordered silicon nanowires. Our atomistic approach is based on tight-binding and empirical potential descriptions of the electronic and phononic systems, respectively. Surface…
Nanoscale channels realized at the conducting interface between LaAlO$_{3}$ and SrTiO$_{3}$ provide a perfect playground to explore the effect of dimensionality on the electronic properties of complex oxides. Here we compare the electric…
Increasing resistivity of metal wires with reducing nanoscale dimensions is a major performance bottleneck of semiconductor computing technologies. We show that metals with suitably anisotropic Fermi velocity distributions can strongly…
We theoretically study the electronic transport in the monolayer of dithiolated phenylene vinylene oligomeres coupled to the (111) surfaces of gold electrodes. We use non-equilibrium Green functions (NEGF) and density functional theory(DFT)…
Non-coherent electronic transport in metallic nanowires exhibits different carrier temperatures for the non-equilibrium forward and backward populations in the presence of electric fields. Depending on the mean free path that characterizes…
We address the quality of electrical contact between carbon nanotubes and metallic electrodes by performing first-principles calculations for the electron transmission through ideal 2- and 3-terminal junctions, thus revealing the physical…
A 1D model study of charge transport in nano-devices is made by comparing multi-configuration time dependent Hartree-Fock and frozen core calculations. The influence of exchange and Coulomb correlation on the tunneling current is…
The transmission of correlated electrons through a domain wall in ferromagnetic quasi-one-dimensional systems is studied theoretically in the case when the domain wall width is comparable with the Fermi wavelength of the charge carriers.…
A brief review of the nanoscale free-electron model of metal nanowires is presented. This continuum description of metal nanostructures allows for a unified treatment of cohesive and conducting properties. Conductance channels act as…
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…
A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…
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…
As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…
Films made from random nanowire arrays are an attractive choice for electronics requiring flexible transparent conductive films. However, thus far there has been no unified theory for predicting their electrical conductivity. In particular,…
The ballistic performance of electron transport in nanowire transistors is examined using a 10 orbital sp3d5s* atomistic tight-binding model for the description of the electronic structure, and the top-of-the-barrier semiclassical ballistic…
Crystal orientation and strain mapping of an individual curved and asymmetrical core-shell hetero-nanowire is performed based on transmission electron microscopy. It relies on a comprehensive analysis of scanning nanobeam electron…
Quasi-two-dimensional systems may exibit curvature, which adds three-dimensional influence to their internal properties. As shown by da Costa \cite{dacosta}, charged particles moving on a curved surface experience a curvature-dependent…
We have investigated the melting behavior of ultra-thin copper nanowires using classical molecular dynamics simulations. The caloric curves of cylindrical multi-shell copper nanowires showed an insight into the specific phase transition.…