Shot noise suppression at room temperature in atomic-scale Au junctions

Shot noise encodes additional information not directly inferable from simple electronic transport measurements. Previous measurements in atomic-scale metal junctions at cryogenic temperatures have shown suppression of the shot noise at particular conductance values. This suppression demonstrates that transport in these structures proceeds via discrete quantum channels. Using a high frequency technique, we simultaneously acquire noise data and conductance histograms in Au junctions at room temperature and ambient conditions. We observe noise suppression at up to three conductance quanta, with possible indications of current-induced local heating and $1/f$ noise in the contact region at high biases. These measurements demonstrate the quantum character of transport at room temperature at the atomic scale. This technique provides an additional tool for studying dissipation and correlations in nanodevices.Comment: 15 pages, 4 figures + supporting information (6 pages, 6 figures

Averaged cubature schemes on the real positive semiaxis

Stratified cubature rules are proposed to approximate double integrals defined on the real positive semiaxis. In particular, anti-Gauss cubature formulae are introduced and averaged cubature schemes are developed. Some of their appropriate modifications are also studied. Several numerical experiments are given to testify the performance of all the formulae

An integrated system and framework for development of medical applications and products based on medical imaging data

Cranial defects which are caused by bone tumors or traffic accidents are treated by cranioplasty techniques. Cranioplasty implants are required to protect the underlying brain, correct major aesthetic deformities, or both. With the rapid develop-ment of computer graphics, medical image processing (MIP) and manufacturing technologies in recent decades, nowadays, personalised cranioplasty implants can be designed and made to improve the quality of cranial defect treatments. However, software tools for MIP and 3D modelling of implants are ex-pensive; and they normally require high technical skills. Espe-cially, the process of design and development of personalised cranioplasty implants normally requires a multidisciplinary team, including experts in MIP, 3D design and modelling, and Biomedical Engineering; this leads to challenges and difficulties for technology transfers and implementations in hospitals. This research is aimed at developing, in particular, cost-effective solutions and tools for design and modeling of personalised cranioplasty implants, and to simplify the design and modelling of implants, as well as to reduce the design and modeling time. In this way, surgeons and engineers can conveniently and easily design personalised cranioplasty implants, without the need of using complex MIP and CAD tools; and as a result the cost of implants will be minimised

A Variational Procedure for Time-Dependent Processes

A simple variational Lagrangian is proposed for the time development of an arbitrary density matrix, employing the "factorization" of the density. Only the "kinetic energy" appears in the Lagrangian. The formalism applies to pure and mixed state cases, the Navier-Stokes equations of hydrodynamics, transport theory, etc. It recaptures the Least Dissipation Function condition of Rayleigh-Onsager {\bf and in practical applications is flexible}. The variational proposal is tested on a two level system interacting that is subject, in one instance, to an interaction with a single oscillator and, in another, that evolves in a dissipative mode.Comment: 25 pages, 4 figure

AVERAGED NYSTRÖM INTERPOLANTS FOR BIVARIATE FREDHOLM INTEGRAL EQUATIONS ON THE REAL POSITIVE SEMI-AXES

Nyström interpolants based on suitable anti-Gauss cubature formulae associated with the Laguerre weights are provided for the numerical solution of second-kind Fredholm integral equations defined on the first quadrant in the coordinate plane (0, ∞) × (0, ∞). The case when the right-hand side and the kernel may increase at the origin and/or at infinity is considered. Numerical tests illustrate the good performance of such interpolants

A self-consistent quantum master equation approach to molecular transport

We propose a self-consistent generalized quantum master equation (GQME) to describe electron transport through molecular junctions. In a previous study [M.Esposito and M.Galperin. Phys. Rev. B 79, 205303 (2009)], we derived a time-nonlocal GQME to cure the lack of broadening effects in Redfield theory. To do so, the free evolution used in the Born-Markov approximation to close the Redfield equation was replaced by a standard Redfield evolution. In the present paper, we propose a backward Redfield evolution leading to a time-local GQME which allows for a self-consistent procedure of the GQME generator. This approach is approximate but properly reproduces the nonequilibrium steady state density matrix and the currents of an exactly solvable model. The approach is less accurate for higher moments such as the noise.Comment: 9 pages, 4 figure

The number of transmission channels through a single-molecule junction

We calculate transmission eigenvalue distributions for Pt-benzene-Pt and Pt-butadiene-Pt junctions using realistic state-of-the-art many-body techniques. An effective field theory of interacting $\pi$-electrons is used to include screening and van der Waals interactions with the metal electrodes. We find that the number of dominant transmission channels in a molecular junction is equal to the degeneracy of the molecular orbital closest to the metal Fermi level.Comment: 9 pages, 8 figure

Effect of Thermoelectric Cooling in Nanoscale Junctions

We propose a thermoelectric cooling device based on an atomic-sized junction. Using first-principles approaches, we investigate the working conditions and the coefficient of performance (COP) of an atomic-scale electronic refrigerator where the effects of phonon's thermal current and local heating are included. It is observed that the functioning of the thermoelectric nano-refrigerator is restricted to a narrow range of driving voltages. Compared with the bulk thermoelectric system with the overwhelmingly irreversible Joule heating, the 4-Al atomic refrigerator has a higher efficiency than a bulk thermoelectric refrigerator with the same $ZT$ due to suppressed local heating via the quasi-ballistic electron transport and small driving voltages. Quantum nature due to the size minimization offered by atomic-level control of properties facilitates electron cooling beyond the expectation of the conventional thermoelectric device theory.Comment: 8 figure

Mechanism of Cyclopropanation Reactions Mediated by (5,10,15,20-Tetra-p-tolylporphyrinato)osmium(II) Complexes

Catalytic systems derived from [Os(TTP)]2 or Fe(TTP) (TTP = 5,10,15,20-tetra-p-tolylporphyrinato) are extremely efficient at converting styrenes and diazo reagents to cyclopropanes in high yields and high stereoselectivity. A number of mechanistic studies have been undertaken to elucidate the catalytic pathway. A mono(carbene) complex, (TTP)OsCHCO2Et, has been isolated but is not the catalytically active species. An electron-withdrawing ligand trans to the carbene in (TTP)OsCHCO2Et activates the carbon fragment toward transfer to an olefin. Labeling studies with (TTP)OsCHX and N2CHY and substrate reactivity profiles are consistent with a trans-osmium(II) bis(carbene) species as the active catalyst