Related papers: Controlling the thermoelectric effect by mechanica…
We explore the thermoelectric properties of gold atomic chains bridging gold electrodes by means of \textit{ab initio} and semi-empirical calculations, and heuristic reasoning. We predict the thermoelectric voltage induced by a temperature…
We propose a mechanism for nanoscale energy conversion, an electric voltage induced by a temperature gradient in a junction composed of the same material having exactly the same geometric sizes, but distinct shapes. The proposed effect…
Interference represents one of the most striking manifestation of quantum physics in low-dimensional systems. Despite evidences of quantum interference in charge transport have been known for a long time, only recently signatures of…
The thermopower and conductance of atomic-size metallic contacts have been simultaneously measured using a mechanically controllable break junction. For contacts approaching atomic dimensions, abrupt steps in the thermopower are observed…
Phase transition between ferroelectricity and quantum paraelectricity via non-thermal tuning parameters can lead to quantum critical behavior and associated emergent phenomena. Ferroelectric quantum critical systems are, however, rare…
Controlling quantum interference near avoided energy-level crossings is crucial for fast and reliable coherent manipulation in quantum information processing. However, achieving tunable quantum interference in atomically-precise engineered…
We theoretically study how one can control and enhance nonlinear thermoelectricity by regulating quantum coherence in nanostructures such as a quantum dot system or a single-molecule junction. In nanostructures, the typical temperature…
We present an \emph{ab initio} study of the role of interference effects in the thermal conductance of single-molecule junctions. To be precise, using a first-principles transport method based on density functional theory, we analyze the…
The thermoelectric voltage of a quantum dot connected to leads is calculated using the scattering R-matrix method. Our approach takes into account a temperature gradient between the contacts beyond the linear regime. We obtain sign changes…
We study the transport through a molecular junction exhibiting interference effects. We show that these effects can still be observed in the presence of molecular vibrations if Coulomb repulsion is taken into account. In the Kondo regime,…
We investigate the thermopower of a metal-molecule-metal junction taking into account thermal effects on the junction. Based on analytical expressions and numerical simulations we show that the thermoelectric potential reveals valuable…
Controlling the direction and magnitude of both heat and electronic currents using rectifiers has significant implications for the advancement of molecular circuit design. In order to facilitate the implementation of new transport phenomena…
The atomic variations of electronic wavefunctions at the surface and electron scattering near a defect have been detected unprecedentedly by tracing thermoelectric voltages given a temperature bias [Cho et al., Nature Mater. 12, 913…
We show that coherent electron transport through zero-dimensional systems can be used to tailor the shape of the system's transmission function. This quantum-engineering approach can be used to enhance the performance of quantum dots or…
Using the tight-binding model and the generalized Green's function formalism, the effect of quantum interference on the electron transport through the benzene molecule in a semiconductor/benzene/semiconductor junction is numerically…
As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave…
A thermoelectric voltage is induced in a junction, constituted of two dissimilar materials under a temperature gradient. Similarly, a thermosize voltage is expected to be induced in a junction made by the same material but having different…
Quantum dots are model systems for quantum thermoelectric behavior because of the ability to control and measure the effects of electron-energy filtering and quantum confinement on thermoelectric properties. Interestingly, nonlinear…
While it is well established that elevated temperatures can induce surface roughening of metal surfaces, the effect of a high electric field on the atomic structure at ambient temperature has not been investigated in detail. Here we show…
The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…