Theoretical study of the charge transport through C60-based single-molecule junctions

We present a theoretical study of the conductance and thermopower of single-molecule junctions based on C60 and C60-terminated molecules. We first analyze the transport properties of gold-C60-gold junctions and show that these junctions can be highly conductive (with conductances above 0.1G0, where G0 is the quantum of conductance). Moreover, we find that the thermopower in these junctions is negative due to the fact that the LUMO dominates the charge transport, and its magnitude can reach several tens of micro-V/K, depending on the contact geometry. On the other hand, we study the suitability of C60 as an anchoring group in single-molecule junctions. For this purpose, we analyze the transport through several dumbbell derivatives using C60 as anchors, and we compare the results with those obtained with thiol and amine groups. Our results show that the conductance of C60-terminated molecules is rather sensitive to the binding geometry. Moreover, the conductance of the molecules is typically reduced by the presence of the C60 anchors, which in turn makes the junctions more sensitive to the functionalization of the molecular core with appropriate side groups.Comment: 9 pages, 7 figure

Bloch states in light transport through a perforated metal

Light transport in a metal with two-dimensional hole arrays is considered. Analytical expression for a transmission coefficient in periodic, isolated and disordered cases are derived, assuming the existence of waveguide modes transverse tunneling in two-dimensional plane perpendicular to traveling direction of light. The one dimensional case of periodic holes, due to its simplicity, is investigated in detail. In the dilute metal regime, when metal fraction is small, our numerical study of the transmission coefficient of central diffracted wave indicates the existence of a minimum which is completely independent of an incident wavelength. Further increasing of metal fraction leads to the unusual monotonic increasing of central diffracted wave transmission. The role of the surface plasmons is discussed.Comment: 14pages, 2figure

Simple universal models capture all classical spin physics

Spin models are used in many studies of complex systems---be it condensed matter physics, neural networks, or economics---as they exhibit rich macroscopic behaviour despite their microscopic simplicity. Here we prove that all the physics of every classical spin model is reproduced in the low-energy sector of certain `universal models'. This means that (i) the low energy spectrum of the universal model reproduces the entire spectrum of the original model to any desired precision, (ii) the corresponding spin configurations of the original model are also reproduced in the universal model, (iii) the partition function is approximated to any desired precision, and (iv) the overhead in terms of number of spins and interactions is at most polynomial. This holds for classical models with discrete or continuous degrees of freedom. We prove necessary and sufficient conditions for a spin model to be universal, and show that one of the simplest and most widely studied spin models, the 2D Ising model with fields, is universal.Comment: v1: 4 pages with 2 figures (main text) + 4 pages with 3 figures (supplementary info). v2: 12 pages with 3 figures (main text) + 35 pages with 6 figures (supplementary info) (all single column). v2 contains new results and major revisions (results for spin models with continuous degrees of freedom, explicit constructions, examples...). Close to published version. v3: minor typo correcte

Transactions Costs and the Viability of Rural Financial Intermediaries

In its attempt to examine the transaction cost of banks, this study develops a method of estimating transaction cost for each bank activity. It also explains the differences and the composition cost among commercial private development and rural banks. Results in this paper is hoped to improve the efficient functioning of the formal financial system.financial sector, rural sector, transaction cost, financial intermediaries

Transaction Cost and the Viability of Rural Financial Intermediaries

Recognition of a continuous improvement in the formal financial system is necessary for economic growth. Over the years, the government has been infusing cheap funds into the rural sector. Unfortunately, it overlooks a number of serious issues regarding bank’s transaction costs. This article develops a method of estimating transaction costs for each bank activity. It also explains the differences and the composition of transaction costs among commercial banks, rural banks and private development banks.financial system, banking system, commercial banks, transaction cost, deposit liabilities

Field enhancement in subnanometer metallic gaps

Motivated by recent experiments [Ward et al., Nature Nanotech. 5, 732 (2010)], we present here a theoretical analysis of the optical response of sharp gold electrodes separated by a subnanometer gap. In particular, we have used classical finite difference time domain simulations to investigate the electric field distribution in these nanojunctions upon illumination. Our results show a strong confinement of the field within the gap region, resulting in a large enhancement compared to the incident field. Enhancement factors exceeding 1000 are found for interelectrode distances on the order of a few angstroms, which are fully compatible with the experimental findings. Such huge enhancements originate from the coupling of the incident light to the evanescent field of hybrid plasmons involving charge density oscillations in both electrodes.Comment: 4 pages, 3 figures, to appear in Physical Review

Role of electronic structure in photoassisted transport through atomic-sized contacts

We study theoretically quantum transport through laser-irradiated metallic atomic-sized contacts. The radiation field is treated classically, assuming its effect to be the generation of an ac voltage over the contact. We derive an expression for the dc current and compute the linear conductance in one-atom thick contacts as a function of the ac frequency, concentrating on the role played by electronic structure. In particular, we present results for three materials (Al, Pt, and Au) with very different electronic structures. It is shown that, depending on the frequency and the metal, the radiation can either enhance or diminish the conductance. This can be intuitively understood in terms of the energy dependence of the transmission of the contacts in the absence of radiation.Comment: 7 pages, 7 figures; four new figures adde

Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport

We develop nonequilibribrium Green's function based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular junctions. Our approach is based on the separation of slow and fast timescales in the equations of motion for the Green's functions by means of the Wigner representation. Time derivatives with respect to central time serves as a small parameter in the perturbative expansion enabling the computation of nonadiabatic corrections to molecular Green's functions. Consequently, we produce series of analytic expressions for non-adiabatic electronic Green's functions (up to the second order in the central time derivatives); which depend not solely on instantaneous molecular geometry but likewise on nuclear velocities and accelerations. Extended formula for electric current is derived which accounts for the non-adiabatic corrections. This theory is concisely illustrated by the calculations on a model molecular junction

Multibreather and vortex breather stability in Klein--Gordon lattices: Equivalence between two different approaches

In this work, we revisit the question of stability of multibreather configurations, i.e., discrete breathers with multiple excited sites at the anti-continuum limit of uncoupled oscillators. We present two methods that yield quantitative predictions about the Floquet multipliers of the linear stability analysis around such exponentially localized in space, time-periodic orbits, based on the Aubry band method and the MacKay effective Hamiltonian method and prove that their conclusions are equivalent. Subsequently, we showcase the usefulness of the methods by a series of case examples including one-dimensional multi-breathers, and two-dimensional vortex breathers in the case of a lattice of linearly coupled oscillators with the Morse potential and in that of the discrete $\phi^4$ model