Structural and electronic properties of gold nanowires

We have used high resolution transmission electron microscopy to determine the structure of gold nanowires generated by mechanical stretching. Just before rupture, the contacts adopt only three possible atomic configurations, whose occurrence probabilities and quantized conductance were subsequently estimated. These predictions have shown a remarkable agreement with conductance measurements from a break junction operating in ultra-high-vacuum, corroborating the derived correlation between nanowire atomic structure and conductance behavior. Received 28 November 2000     

Static magneto-polarizability of cylindrical nanostructures

The static polarizability of cylindrical systems is shown to have a strong dependence on a uniform magnetic field applied parallel to the tube axis. This dependence is demonstrated by performing exact numerical diagonalizations of simple cylinders (rolled square lattices), armchair and zig-zag carbon nanotubes (rolled honeycomb lattices) for different electron-fillings. At low temperature, the polarizability as function of the magnetic field has a discontinuous character where plateau-like region are separated by sudden jumps or peaks. A one to one correspondence is pointed out between each discontinuity of the polarizability and the magnetic-field induced cross-over between the ground state and the first excited state. Our results suggest the possibility to use measurements of the static polarizability under magnetic field to get important informations about excited states of cylindrical systems such as carbon nanotubes. Received 29 March 2001 and Received in final form 8 August 2001     

Correlated electron current and temperature dependence of the conductance of a quantum point contact

We investigate finite temperature corrections to the Landauer formula due to electron–electron interaction within the quantum point contact. When the Fermi level is close to the barrier height, the conducting wavefunctions become peaked on the barrier, enhancing the electron–electron interaction. At the same time, away from the contact the interaction is strongly suppressed by screening. To describe electron transport we formulate and solve a kinetic equation for the density matrix of electrons. The correction to the conductance G is negative and strongly enhanced in the region 0.5 × 2e²/h ≤ G ≤ 1.0 × 2e²/h. Our results for conductance agree with the so-called “0.7 structure” observed in experiments.     

Deposition of Ni<Subscript> 13</Subscript> and Cu<Subscript> 13</Subscript> clusters on Ni(111) and Cu(111) surfaces

The soft deposition of Ni₁₃ and Cu₁₃ clusters on Ni(111) and Cu(111) surfaces is studied by means of constant-energy molecular-dynamics simulations. The atomic interactions are described by the Embedded Atom Method. It is shown that the shape of the nickel clusters deposited on Cu(111) surfaces remains rather intact, while the copper clusters impacting on Ni(111) surfaces collapse forming double and triple layered products. Furthermore, it is found that for an impact energy of 0.5 eV/atom the structures of all investigated clusters show the lowest similarity to the original structures, except for the case of nickel clusters deposited on a Cu(111) surface. Finally, it is demonstrated that when cluster and substrate are of different materials, it is possible to control whether the deposition results in largely intact clusters on the substrate or in a spreading of the clusters. This separation into hard and soft clusters can be related to the relative cohesive energy of the crystalline materials.     

介观RLC并联电路量子效应

研究了介观RLC并联电路系统量子态随时间的演化，结果表明，在外加电源作用下，有耗散的RLC并联电路，系统将由初始的真空态演化到压缩态。     

Charge densities and charge noise in mesoscopic conductors

We introduce a hierarchy of density of states to characterize the charge distribution in a mesoscopic conductor. At the bottom of this hierarchy are the partial density of states which represent the contribution to the local density of states if both the incident and the out-going scattering channel is prescribed. The partial density of states play a prominent role in measurements with a scanning tunneling microscope on multiprobe conductors in the presence of current flow. The partial density of states determine the degree of dephasing generated by a weakly coupled voltage probe. In addition the partial density of states determine the frequency-dependent response of mesoscopic conductors in the presence of slowly oscillating voltages applied to the contacts of the sample. The partial density of states permit the formulation of a Friedel sum rule which can be applied locally. We introduce the off-diagonal elements of the partial density of states matrix to describe charge fluctuation processes. This generalization leads to a local Wigner-Smith life-time matrix.     

Effects of photon field on heat transport through a quantum wire attached to leads

We theoretically investigate photo-thermoelectric transport through a quantum wire in a photon cavity coupled to electron reservoirs with different temperatures. Our approach, based on a quantum master equation, allows us to investigate the influence of a quantized photon field on the heat current and thermoelectric transport in the system. We find that the heat current through the quantum wire is influenced by the photon field resulting in a negative heat current in certain cases. The characteristics of the transport are studied by tuning the ratio, $?{\omega }_{\gamma }/k_{\mathrm{B}}\mathrm{\Delta }T$, between the photon energy, $?{\omega }_{\gamma }$, and the thermal energy, $k_{\mathrm{B}}\mathrm{\Delta }T$. The thermoelectric transport is enhanced by the cavity photons when $k_{\mathrm{B}}\mathrm{\Delta }T>?{\omega }_{\gamma }$. By contrast, if $k_{\mathrm{B}}\mathrm{\Delta }T<?{\omega }_{\gamma }$, the photon field is dominant and a suppression in the thermoelectric transport can be found in the case when the cavity-photon field is close to a resonance with the two lowest one-electron states in the system. Our approach points to a new technique to amplify thermoelectric current in nano-devices.     

Coherent quantum transport in two-dimensional electron gas/superconductor double junctions with Rashba spin-orbit coupling

Based on the extended Blonder-Tinkham-Klapwijk (BTK) approach, we have investigated the coherent quantum transport in two-dimensional electron gas/superconductor (2DEG/SC) double tunneling junctions in the presence of the Rashba spin-orbit coupling (RSOC). It is found that all the reflection coefficients in BTK theory as well as conductance spectra oscillate with the external voltage and energy. The oscillation feature of conductance can be tuned largely by the RSOC for low insulating barriers, while for high insulating barriers it is almost independent of the RSOC. These phenomena are essentially different from those found in ferromagnet/superconductor double tunneling junctions.     

增溶性辅料泊洛沙姆188与胆酸聚集形态的介观模拟

为了建立符合中药特点的增溶性药用辅料的筛选与评价方法,本研究以清开灵注射液为研究载体,采用介观动力学方法(MesoDyn)研究其难溶活性成分胆酸与增溶性辅料泊洛沙姆188之间的相互作用,探讨了胆酸对泊洛沙姆188临界胶束浓度的影响及泊洛沙姆188浓度、模拟时间、温度对两者聚集体构型的影响,并采用实验方法验证了部分模拟结果,为中药注射剂增溶性辅料的科学应用提供一定基础.结果表明:在清开灵注射液中活性成分胆酸的存在下,泊洛沙姆188的临界胶束浓度范围为0.6%～0.7%,降低了泊洛沙姆188自身的临界胶束浓度,为使清开灵注射液中的胆酸(3%)全部增溶,泊洛沙姆188浓度应为1.7%.     

On the fragmentation of multiply charged sodium clusters

The fragmentation of multiply charged atomic sodium clusters of mass 200 is investigated using the Micro-canonical Metropolis Monte Carlo (MMMC) statistical technique for excitation energies up to 200 eV and for cluster charges up to +9e. In this work we present caloric curves and charged and uncharged fragment mass distributions for clusters with charges 0, 2, and 4. The caloric curves show a dip at the critical point implying a negative specific heat, as expected for finite systems, while the fragment mass distributions corroborate the picture of a phase transition from one dominant liquid-like cluster to complete vaporization. Received 7 November 2001 / Received in final form 4 April 2002 Published online 28 June 2002