Coherent transport in disordered metals: zero dimensional limit

We consider non-equilibrium transport in disordered conductors. We calculate the interaction correction to the current for a short wire connected to electron reservoirs by resistive interfaces. In the absence of charging effects we find a universal current-voltage-characteristics. The relevance of our calculation for existing experiments is discussed as well as the connection with alternative theoretical approaches. Received 2 September 2002 Published online 29 October 2002     

Transport properties of a single-quantum dot Aharonov-Bohm interferometer

We consider a two-terminal Aharonov-Bohm (AB) interferometer with a quantum dot inserted in one path of the AB ring. We investigate the transport properties of this system in and out of the Kondo regime. We utilize perturbation theory to calculate the electron self-energy of the quantum dot with respect to the intradot Coulomb interaction. We show the expression of the Kondo temperature as a function of the AB phase together with its dependence on other characteristics such as the linewidth of the ring and the finite Coulomb interaction and the energy levels of the quantum dot. The current oscillates periodically as a function of the AB phase. The amplitude of the current oscillation decreases with increasing Coulomb interaction. For a given temperature, the electron transport through the AB interferometer can be selected to be in or out of the Kondo regime by changing the magnetic flux threading perpendicular to the AB ring of the system.     

Quantum computational gates with radiation free couplings

We examine a generic three level mechanism of quantum computation in which all fundamental single and double qubit quantum logic gates are operating under the effect of adiabatically controllable static (radiation free) bias couplings between the states. Under the time evolution imposed by these bias couplings the quantum state cycles between the two degenerate levels in the ground state and the quantum gates are realized by changing Hamiltonian at certain time intervals when the system collapses to a two state subspace. We propose a physical implementation of the mechanism using Aharonov-Bohm persistent-current loops in crossed electric and magnetic fields, with the output of the loop read out by using a quantum Hall effect aided mechanism. Received 26 March 2002 / Received in final form 8 July 2002 Published online 19 November 2002     

Mo6S6 nanowires: structural, mechanical and electronic properties

The properties of nanowires were investigated with ab initio calculations based on the density-functional theory. The molecules build weakly coupled one-dimensional chains, like and Mo₆S_9-xI_x, and the crystals are strongly uniaxial in their mechanical and electronic properties. The calculated moduli of elasticity and resilience along the chain axis are c₁₁ = 320 GPa and E_R = 0.53 GPa, respectively. The electronic band structure and optical conductivity indicate that the crystals are good quasi-one-dimensional conductors. The frequency-dependent complex dielectric tensor ε, calculated in the random-phase approximation, shows a strong Drude peak in ε_∥, i.e., for the electric field polarised parallel to the chain axis, and several peaks related to interband transitions. The electron energy loss spectrum is weakly anisotropic and has a strong peak at the plasma frequency ħω_p ≈20 eV. The stability analysis shows that is metastable against the formation of the layered .     

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     

Evidence for a cubic-to-icosahedral transition of quasi-free Pd-H-clusters controlled by the hydrogen content

An in situ synchrotron radiation study of quasi-free five nanometer-sized palladium clusters during hydrogen absorption is combined with molecular dynamics simulations to investigate the structural development. In the diffraction patterns, strong intensity changes are found that provide evidence for a structural phase transformation that is significantly different from the α--Pd-H bulk phase transition. The structural transition is reversible and driven by the hydrogen concentration. The intensity changes are consistent with a cubic-to-icosahedral structural phase transition obtained in molecular dynamical simulations using embedded-atom-method potentials. Received 15 October 2001 and Received in final form 7 February 2002     

Nuclear magnetic resonance study of ultrananocrystalline diamonds

We report on a nuclear magnetic resonance (NMR) study of ultrananocrystalline diamond (UNCD) materials produced by detonation technique. Analysis of the ¹³C and ¹H NMR spectra, spin-spin and spin-lattice relaxation times in purified UNCD samples is presented. Our measurements show that UNCD particles consist of a diamond core that is partially covered by a sp ²-carbon fullerene-like shell. The uncovered part of outer diamond surface comprises a number of hydrocarbon groups that saturate the dangling bonds. Our findings are discussed along with recent calculations of the UNCD structure. Significant increase in the spin-lattice relaxation rate (in comparison with that of natural diamond), as well as stretched exponential character of the magnetization recovery, are attributed to the interaction of nuclear spins with paramagnetic centers which are likely fabrication-driven dangling bonds with unpaired electrons. We show that these centers are located mainly at the interface between the diamond core and shell.     

Structure of quantum disordered wave functions: weak localization, far tails, and mesoscopic transport

We report on the comprehensive numerical study of the fluctuation and correlation properties of wave functions in three-dimensional mesoscopic diffusive conductors. Several large sets of nanoscale samples with finite metallic conductance, modeled by an Anderson model with different strengths of diagonal box disorder, have been generated in order to investigate both small and large deviations (as well as the connection between them) of the distribution function of eigenstate amplitudes from the universal prediction of random matrix theory. We find that small, weak localization-type, deviations contain both diffusive contributions (determined by the bulk and boundary conditions dependent terms) and ballistic ones which are generated by electron dynamics below the length scale set by the mean free path ℓ. By relating the extracted parameters of the functional form of nonperturbative deviations (“far tails”) to the exactly calculated transport properties of mesoscopic conductors, we compare our findings based on the full solution of the Schr?dinger equation to different approximative analytical treatments. We find that statistics in the far tail can be explained by the exp-log-cube asymptotics (convincingly refuting the log-normal alternative), but with parameters whose dependence on ℓ is linear and, therefore, expected to be dominated by ballistic effects. It is demonstrated that both small deviations and far tails depend explicitly on the sample size--the remaining puzzle then is the evolution of the far tail parameters with the size of the conductor since short-scale physics is supposedly insensitive to the sample boundaries. Received 19 August 2002 Published online 19 November 2002     

Electronic properties of model quantum-dot structures in zero and finite magnetic fields

We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method. The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed. Received 16 October 2001 and Received in final form 17 January 2002     

Quantum transport in honeycomb lattice ribbons with armchair and zigzag edges coupled to semi-infinite linear chain leads

We study quantum transport in honeycomb lattice ribbons with either armchair or zigzag edges. The ribbons are coupled to semi-infinite linear chains serving as the input and output leads and we use a tight-binding Hamiltonian with nearest-neighbor hops. The input and output leads are coupled to the ribbons through bar contacts. In narrow ribbons we find transmission gaps for both types of edges. The appearance of this gap is due to the enhanced quantum interference coming from the multiple channels in bar contacts. The center of the gap is at the middle of the band in ribbons with armchair edges. This particle-hole symmetry is because bar contacts do not mix the two sublattices of the underlying bipartite honeycomb lattice when the ribbon has armchair edges. In ribbons with zigzag edges the gap center is displaced to the right of the band center. This breakdown of particle-hole symmetry is the result of bar contacts now mixing the two sublattices. We also find transmission oscillations and resonances within the transmitting region of the band for both types of edges. Extending the length of a ribbon does not affect the width of the transmission gap, as long as the ribbon’s length is longer than a critical value when the gap can form. Increasing the width of the ribbon, however, changes the width of the gap. In ribbons with zigzag edges the gap width systematically shrinks as the width of the ribbon is increased. In ribbons with armchair edges the gap is not well-defined because of the appearance of transmission resonances. We also find only evanescent waves within the gap and both evanescent and propagating waves in the transmitting regions.     

Solid-state reaction in Ti/Ni multilayers studied by magneto-optical and optical spectroscopies, and X-ray diffraction

Comparative study of the solid-state reaction (SSR) in a series of Ti/Ni multilayered films (MLF) with a bilayer period of 0.65-22.2 nm and a constant Ti to Ni sublayer thickness ratio has been performed by using the experimental and computer-simulated magneto-optical (MO) and optical spectroscopies as well as X-ray diffraction (XRD). It was shown that alloyed-like regions in an amorphous structure is spontaneously formed near the interfaces between pure elements during the film deposition. The thickness of this region was estimated as 2-3.8 nm on the basis of the MO and optical studies. The SSR in the Ti/Ni MLF caused by an annealing at 580 K for 60 min increases the thickness of these interfacial amorphous regions. It was shown that SSR takes place mainly in the Ti/Ni MLF with relatively “thick” sublayers. The existence of a threshold nominal Ni-sublayer thickness for observing the equatorial Kerr effect of about 3.0 and 4.5 nm for the as-deposited and annealed Ti/Ni MLF, respectively, is explained by formation of the nonmagnetic alloyed regions between pure components during the film deposition as a result of the SSR. For the case of Ti/Ni MLF, the MO and optical approaches turn out to be more sensitive in determining the thickness of the reacted zone, while XRD is more useful for the structural analysis. It was also shown that the very thin nonreacted Ni sublayers have different MO properties (and hence electronic structure) from the bulk. Received 2 May 2001 and Received in final form 21 November 2001     

Determination of the interactions in confined macroscopic Wigner islands: theory and experiments

Macroscopic Wigner islands present an interesting complementary approach to explore the properties of two-dimensional confined particles systems. In this work, we characterize theoretically and experimentally the interaction between their basic components, viz., conducting spheres lying on the bottom electrode of a plane condenser. We show that the interaction energy can be approximately described by a decaying exponential as well as by a modified Bessel function of the second kind. In particular, this implies that the interactions in this system, whose characteristics are easily controllable, are the same as those between vortices in type-II superconductors.     

Influence of inter-dot Coulomb repulsion and exchange interactions on conductance through double quantum dot

Conductance and other physical quantities are calculated in double quantum dots (DQD) connected in series in the limit of coherent tunnelling using a Green's function technique. The inter-dot Coulomb repulsion and the exchange interaction are studied by means of the Kotliar and Ruckenstein slave-boson mean-field approach. The crossover from the atomic to the molecular limit is analyzed in order to show how the conductance in the model depends on the competition between the level broadening (dot-lead coupling) and the dot-dot transmission. The double Kondo effect was found in the gate voltage characteristics of the conductance in the atomic limit. In the case, when each dot accommodates one electron, the Kondo resonant states are formed between dots and their adjacent leads and transport is dominated by hopping between these two resonances. In the molecular limit the conductance vanishes for sufficiently low gate voltages, which means the Kondo effect disappeared. For small dot-lead coupling the transport characteristics are very sensitive on the influence of the inter-dot Coulomb repulsion and the position of the local energy level. The resonance region is widened with increase of the inter-dot Coulomb interactions while the exchange interaction has opposite influence.     

Symmetry of standing waves generated by a point defect in epitaxial graphene

Using scanning tunneling microscopy (STM) and Fourier Transform STM (FT-STM), we have studied a point defect in epitaxial graphene grown on silicon carbide substrate. We find a strong threefold anisotropy in the standing waves generated by the defect. We discuss possible relations between this anisotropy and the chirality of the electrons, and how it allows us to identify the position of the impurity. We extract the quasiparticle energy dispersion, and give a first experimental proof of the validity of Fermi liquid theory in graphene for a wide range of energies from -800 meV to +800 meV. All experimental measurements are compared and related to theoretical T-matrix calculations.     

Characteristics of transmission of electrons in a quantum wire tangentially attached to a superconductor ring threaded by magnetic flux

We present numerical investigations of the transmission properties of electrons in a normal quantum wire tangentially attached to a superconductor ring threaded by magnetic flux. A point scatterer with a δ -function potential is placed at node to model scattering effect. We find that the transmission characteristics of electrons in this structure strongly depend on the normal or superconducting state of the ring. The transmission probability as a function of the energy of incident electrons, in the case of a superconductor ring threaded by one quantum magnetic flux, emerges one deep dip, imposed upon the first broad bump in spectrum. This intrinsic conductance dip originates from the superconductor state of the ring. When increasing the magnetic flux from one quantum magnetic flux to two, the spectrum shifts toward higher energy region in the whole. This conductance dip accordingly shifts and appears in the second bump. In the presence of a point-scatterer at the node, the spectrum is substantially modified. Based on the condition of the formation of the standing wave functions in the ring and the broken of the time-reserve symmetry of Schr?dinger equation after switching magnetic flux, the characteristics of transmission of electrons in this structure can be well understood. Received 6 November 2001     

Electron transport in interacting hybrid mesoscopic systems

A unified theory for the current through a mesoscopic region of interacting electrons connected to two leads which can be either ferromagnet or superconductor is presented, yielding Meir-Wingreen-type formulas when applied to specific circumstances. In such a formulation, the requirement of gauge invariance is satisfied automatically. Moreover, one can judge unambiguously what quantities can be measured in the transport experiment. Received 22 August 2002 / Received in final form 14 February 2003 Published online 11 April 2003 RID="a" ID="a"e-mail: phyzengz@nus.edu.sg     

Electronic properties of double-layer carbon nanotubes

The electronic spectra for double-wall zigzag and armchair nanotubes are found. The influence of nanotube curvatures on the electronic spectra is also calculated. Our finding that the outer shell is hole doped by the inner shell is in the difference between Fermi levels of individual shells which originate from the different hybridization of π orbital. The shift and rotation of the inner nanotube with respect to the outer nanotube are investigated. We found stable semimetal characteristics of the armchair DWNTs in regard of the shift and rotation of the inner nanotube. We predict the shift of k_F towards the bigger wave vectors with decreasing of the radius of the armchair nanotube.     

Phonon heat transport in silicon nanowires

Thermal conductivity of silicon and porous silicon nanowires based on the equation of phonon radiative transport is theoretically evaluated. The thermal conductivities of silicon nanowires with square cross-sections are found to match molecular dynamics simulation results reasonably well. It is shown that the results of meso-porous silicon nanowires are about two orders of magnitude lower than that of silicon nanowires in a wide range of temperature (50 K-300 K). Received 24 April 2001 and Received in final form 23 December 2001     

Coulomb repulsion effects in driven electron transport

We study numerically the influence of strong Coulomb repulsion on the current through molecular wires that are driven by external electromagnetic fields. The molecule is described by a tight-binding model whose first and last site is coupled to a respective lead. The leads are eliminated within a perturbation theory yielding a master equation for the wire. The decomposition into a Floquet basis enables an efficient treatment of the driving field. For the electronic excitations in bridged molecular wires, we find that strong Coulomb repulsion significantly sharpens resonance peaks which broaden again with increasing temperature. By contrast, it has only a small influence on effects like non-adiabatic electron pumping and coherent current suppression.