相关论文: Unconventional Electromechanical Response in Ferro…
We report on the single-molecule electronic and thermoelectric properties of strategically chosen anthracene-based molecules with anchor groups capable of binding to noble metal substrates, such as gold and platinum. Specifically, we study…
Ferroelectrics with spontaneous electric polarization play an essential role in today's device engineering, such as capacitors and memories. Their physical properties are further enriched by suppressing the long-range polar order, as is…
High-temperature iron-based superconductivity develops in a structure with unusual lattice-orbital geometry, based on a planar layer of Fe atoms with 3d orbitals and tetrahedrally coordinated by anions. Here we elucidate the electronic role…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
To develop next-generation electronics and high efficiency energy-harvesting devices, it is crucial to understand how charge and heat are transported at the nanoscale. Metallic atomic-size contacts are ideal systems to probe the quantum…
We performed density functional theory and tight-binding molecular dynamics calculations to investigate the formation of suspended linear atom chains when stretching gold nanowires along the [110] crystal orientation. We determined that…
Graphene is an attractive electrode material to contact nanostructures down to the molecular scale since it can be gated electrostatically. Gating can be used to control the doping and the energy level alignment in the nanojunction, thereby…
Single-molecule junctions represent electromechanical systems at the edge of device miniaturization. Despite extensive studies on the interplay between mechanical manipulation and electron transport in molecular junctions, a thorough…
A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials, have dominant states that are not spatially homogeneous. This…
We report a theoretical study suggesting a novel type of electronic switching effect, driven by the geometrical reconstruction of nanoscale graphene-based junctions. We considered junction struc- tures which have alternative metastable…
We analyze the formation and evolution statistics of single molecule junctions bonded to gold electrodes using amine, methyl sulfide and dimethyl phosphine link groups by measuring conductance as a function of junction elongation. For each…
This work explores a nontrivial temperature behavior of the carriers concentration, which governs graphene channel conductance in the nano-structure "graphene channel on ferroelectric substrate" that is a basic element for FETs in…
We analyze a possibility for odd-frequency pairing near a quantum critical point(QCP) in a metal. We consider a model with dynamical pairing interaction $V(\Omega_n)\sim 1/|\Omega_n|^\gamma$ (the $\gamma$-model). This interaction gives rise…
We calculate the conductance of atomic chains as a function of their length. Using the Density Matrix Renormalization Group algorithm for a many-body model which takes into account electron-electron interactions and the shape of the…
We use a novel technique to experimentally explore transport properties through a single metallic nanoparticle with variable coupling to electric leads. For strong dot-lead coupling the conductance is an oscillatory function of the gate…
We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…
In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate compounds containing a ferrocene moiety which is connected to i) thiol anchor groups on both…
Sufficiently large electric current applied to metallic nanostructures can bring them far out-of-equilibrium, resulting in non-Ohmic behaviors characterized by current-dependent resistance. We experimentally demonstrate a linear dependence…
We develop a detailed microscopic analysis of electron transport in normal diffusive conductors in the presence of proximity induced superconducting correlation. We calculated the linear conductance of the system, the profile of the…
We report on a first-principles study of the conductance through graphene suspended between Al contacts as a function of junction length, width, and orientation. The charge transfer at the leads and into the freestanding section gives rise…