Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userVibrational energy transport in molecular wires
124
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
Motivated by recent experimental observation (see e.g., I.V.Rubtsov, Acc. Chem. Res., v. 42, 1385 (2009)) of vibrational energy transport in CH_2O_N and CF_2_N molecular chains (N = 4 - 12), in this paper we present and solve analytically a simple one dimensional model to describe theoretically these data. To mimic multiple conformations of the molecular chains, our model includes random off-diagonal couplings between neighboring sites. For the sake of simplicity we assume Gaussian distribution with dispersion sigma for these coupling matrix elements. Within the model we find that initially locally excited vibrational state can propagate along the chain. However the propagation is neither ballistic nor diffusion like. The time T_m for the first passage of the excitation along the chain, scales linearly with N in the agreement with the experimental data. Distribution of the excitation energies over the chain fragments (sites in the model) remains random, and the vibrational energy, transported to the chain end at $t=T_m$ is dramatically decreased when sigma is larger than characteristic interlevel spacing in the chain vibrational spectrum. We do believe that the problem we have solved is not only of intellectual interest (or to rationalize mentioned above experimental data) but also of relevance to design optimal molecular wires providing fast energy transport in various chemical and biological reactions.
rate research
Read More
Introduction (2) Experimental background: Test beds (8) Theoretical approaches: A microscopic model(10) The electron-phonon coupling(14)Time and energy scales(15) Theoretical methods(19)Numerical calculations(28) Incoherent vs. coherent transport (28) Inelastic tunneling spectroscopy: Experimental background(31) Theoretical considerations:the weak coupling limit(36) Theoretical considerations: moderately strong coupling(41)Comparison of approximation schemes(48)Asymmetry in IETS(51)The origin of dips in IETS signals(53)Computational approaches (56) Effects of electron-electron(e-e)interactions (63) Noise (66) Non-linear conductance phenomena (73) Heating and heat conduction: General considerations(77) Heat generation(81) Heat conduction(85) Junction temperature(88) Current induced reactions (91) Summary and outlook (91)
When a quantum wire is weakly confined, a conductance plateau appears at e^2/h with decreasing carrier density in zero magnetic field accompanied by a gradual suppression of the 2e^2/h plateau. Applying an in-plane magnetic field B|| does not alter the value of this quantization; however, the e^2/h plateau weakens with increasing B|| up to 9 T, and then strengthens on further increasing B||, which also restores the 2e^2/h plateau. Our results are consistent with spin-incoherent transport in a one-dimensional wire.
The modified superexchange model is used to derive the expression for nonresonant tunneling conductance mediated by localized and delocalized molecular orbitals associated with the terminal and the interior molecular units respectively. The model is shown to work as long as delocalization of electron density in the chains molecular orbitals is sustained during the tunneling. The criteria for reduction of the superexchange model of charge tunneling to the flat barrier model are formulated and the parameters of the barrier model (energy gap and effective electron mass) are specified in the terms of inter-site coupling and energy distance from the Fermi level to the delocalized wires HOMO level. Application of the theory tothe experiment shows that the modified superexchange model is quite appropriate to explain the experimental results in case of the nonresonance tunneling conductance in --(CH$_2)$$_N$--NH$_2$ and HOOC--(CH$_2)$$_N$--COOH molecular wires.
We develop a theory of thermal transport of weakly interacting electrons in quantum wires. Unlike higher-dimensional systems, a one-dimensional electron gas requires three-particle collisions for energy relaxation. The fastest relaxation is provided by the intrabranch scattering of comoving electrons which establishes a partially equilibrated form of the distribution function. The thermal conductance is governed by the slower interbranch processes which enable energy exchange between counterpropagating particles. We derive an analytic expression for the thermal conductance of interacting electrons valid for arbitrary relation between the wire length and electron thermalization length. We find that in sufficiently long wires the interaction-induced correction to the thermal conductance saturates to an interaction-independent value.
We study the electronic and transport properties of a topological insulator nanowire including selective magnetic doping of its surfaces. We use a model which is appropriate to describe materials like Bi$_2$Se$_3$ within a k.p approximation and consider nanowires with a rectangular geometry. Within this model the magnetic doping at the (111) surfaces induces a Zeeman field which opens a gap at the Dirac cones corresponding to the surface states. For obtaining the transport properties in a two terminal configuration we use a recursive Green function method based on a tight-binding model which is obtained by discretizing the original continuous model. For the case of uniform magnetization of two opposite nanowire (111) surfaces we show that the conductance can switch from a quantized value of $e^2/h$ (when the magnetizations are equal) to a very small value (when they are opposite). We also analyze the case of non-uniform magnetizations in which the Zeeman field on the two opposite surfaces change sign at the middle of the wire. For this case we find that conduction by resonant tunneling through a chiral state bound at the middle of the wire is possible. The resonant level position can be tuned by imposing an Aharonov-Bohm flux through the nanowire cross section.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
