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631.
A new mechanism is proposed to explain the origin of negative differential resistance (NDR) in a strongly coupled single molecule-metal junction. A first-principles quantum transport calculation in a Fe-terpyridine linker molecule sandwiched between a pair of gold electrodes is presented. Upon increasing the applied bias, it is found that a new phase in the broken symmetry wave function of the molecule emerges from the mixing of occupied and unoccupied molecular orbitals. As a consequence, a nonlinear change in the coupling between the molecule and the lead is evolved resulting in NDR. This model can be used to explain NDR in other classes of metal-molecule junction devices. 相似文献
632.
Tanihata I Alcorta M Bandyopadhyay D Bieri R Buchmann L Davids B Galinski N Howell D Mills W Mythili S Openshaw R Padilla-Rodal E Ruprecht G Sheffer G Shotter AC Trinczek M Walden P Savajols H Roger T Caamano M Mittig W Roussel-Chomaz P Kanungo R Gallant A Notani M Savard G Thompson IJ 《Physical review letters》2008,100(19):192502
The p((11)Li, (9)Li)t reaction has been studied for the first time at an incident energy of 3A MeV at the new ISAC-2 facility at TRIUMF. An active target detector MAYA, built at GANIL, was used for the measurement. The differential cross sections have been determined for transitions to the (9)Li ground and first excited states in a wide range of scattering angles. Multistep transfer calculations using different (11)Li model wave functions show that wave functions with strong correlations between the halo neutrons are the most successful in reproducing the observation. 相似文献
633.
García Saiz E Gregori G Khattak FY Kohanoff J Sahoo S Naz GS Bandyopadhyay S Notley M Weber RL Riley D 《Physical review letters》2008,101(7):075003
We have investigated the angular variation in elastic x-ray scattering from a dense, laser-shock-compressed aluminum foil. A comparison of the experiment with simulations using an embedded atom potential in a molecular dynamics simulation shows a significantly better agreement than simulations based on an unscreened one-component plasma model. These data illustrate, experimentally, the importance of screening for the dense plasma static structure factor. 相似文献
634.
The effects of discontinuously time-varying perturbations on the dynamics of a particle moving in harmonic, symmetric double well and symmetric triple well potentials, are investigated both classically and quantum mechanically. The quantum dynamics is followed using the time-dependent Fourier grid Hamiltonian (TDFGH) method while the classical dynamics is analyzed within the framework of classical Hamiltonian mechanics. Depending on the spatial symmetry of the perturbation and the characteristic features of the reversal time , different types of ‘phase space’ structures are observed in each of the potentials. For symmetric double and triple well potentials, quantum dynamics reveals that complete destruction of tunnelling (CDT) can be achieved in the presence of a time-dependent spatially asymmetric perturbing field that is continuous in time. Any discontinuity in time-variation of the perturbation may induce over the barrier transition. The relevance of these results in the context of (i) tunnelling control and (ii) quantum computing with 3-state or 2-state quantum registers is briefly discussed. 相似文献
635.
Manik Lal Maity Samyadeb Mahato Prof. Dr. Subhajit Bandyopadhyay 《Angewandte Chemie (International ed. in English)》2023,62(45):e202311551
The chalcone-flavylium photochromic system switches in aqueous media. However, the chalcone→flavylium conversion requires detrimental ultra-violet (UV) light for the switching which deters their applications in the biological domain. To address this issue, we have synthesized strategically modified chalcone scaffolds that can be reversibly switched to the flavylium forms with visible light ranging from 456 nm (blue) to 640 nm (red). 相似文献