相关论文: Thermoelectric effect in molecular electronics

We consider effects of magnetic field on the thermopower and thermoconductance of a single-electron transistor based on a quantum dot strongly coupled to one of the leads by a single-mode quantum point contact. We show appearance of two new…

The temperature dependence of the conductance of a quantum point contact has been measured. The conductance as a function of the Fermi energy shows temperature-independent fixed points, located at roughly multiple integers of $e^{2}/h$.…

We derive a general formalism for evaluating the high-frequency limit of the thermoelectric power of strongly correlated materials, which can be straightforwardly implemented in available first principles LDA+DMFT programs. We explore this…

Although it was demonstrated that discrete molecular levels determine the sign and magnitude of the thermoelectric effect in single-molecule junctions, full electrostatic control of these levels has not been achieved to date. Here, we show…

We show that the thermoelectric properties of nanoscale junctions featuring states near the Fermi level strongly depend on the type of resonance generated by such states, which can be either Fano or Breit-Wigner-like. We give general…

We investigate the thermopower of single molecules weakly coupled to metallic leads. We model the molecule in terms of the relevant electronic orbitals coupled to phonons corresponding to both internal vibrations and to oscillations of the…

Understanding how the mechanism of charge transport through molecular tunnel junctions depends on temperature is crucial to control electronic function in molecular electronic devices. With just a few systems investigated as a function of…

Molecular ferroelectrics have captured immense attention due to their superiority over inorganic oxide ferroelectrics, such as environmentally friendly, low-cost, flexible, foldable. However, the mechanisms of ferroelectric switching and…

An asymmetry as a function of the direction of current flow is observed in the current-voltage characteristic (CVC) and its first and second derivatives for point heterocontacts between pure metals {Cu, Ni, Fe) as well as between these…

We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…

Mysterious high temperature structureless transitions in (TMTTF)2X compounds have been discovered in mid 80's (Coulon, Lawersanne,vet al), but left unexplained and abandoned, together with other warnings from structural effects (Moret,…

The conductance and thermoelectric power (TEP) of graphene is simultaneously measured using microfabricated heater and thermometer electrodes. The sign of the TEP changes across the charge neutrality point as the majority carrier density…

We describe here a novel approach to the subject of thermoelectric devices. The current best thermoelectrics are based on heavily doped semiconductors or semimetal alloys. We show that utilization of electric field effect or ferroelectric…

Lattice parameter, electronic structure, mechanical and thermodynamic properties of ThN are systematically studied using the projector-augmented-wave method and the generalized gradient approximation based on the density functional theory.…

We explore theoretically the principles that govern photon emission from single-molecule conductors carrying electric currents between metallic contacts. The molecule and contacts are represented by a generic tight-binding model. The…

On the basis of self-consistent Born approximation for Dirac fermions under charged impurity scatterings in graphene, the theory for calculating the thermo-electric power is developed by using the heat current-current correlation function.…

Using non-equilibrium renormalized perturbation theory, we calculate the retarded and lesser self energies, the spectral density rho(omega) near the Fermi energy, and the conductance G through a quantum dot as a function of a small bias…

Using a first principles approach to electron transport, we calculate the electrical and thermoelectrical transport properties of a series of molecular wires containing benzo-difuran subunits. We demonstrate that the side groups introduce…

We analyze the short-time behavior of the heat and charge currents through nanoscale conductors exposed to a temperature gradient. To this end, we employ Luttinger's thermomechanical potential to simulate a sudden change of temperature at…

Molecular junctions are a versatile test bed for investigating thermoelectricity on the nanoscale1-10 and contribute to the design of new cost-effective environmentally-friendly organic thermoelectric materials11. It has been suggested that…