36 research outputs found
Magic structures of helical multi-shell zirconium nanowires
The structures of free-standing zirconium nanowires with 0.62.8 nm in
diameter are systematically studied by using genetic algorithm simulations with
a tight-binding many body potential. Several multi-shell growth sequences with
cylindrical structures are obtained. These multi-shell structures are composed
of coaxial atomic shells with the three- and four-strands helical, centered
pentagonal and hexagonal, and parallel double-chain-core curved surface
epitaxy. Under the same growth sequence, the numbers of atomic strands in
inner- and outer-shell show even-odd coupling and usually differ by five. The
size and structure dependence of angular correlation functions and vibrational
properties of zirconium nanowire are also discussed.Comment: 14 pages, 4 figure
Quantum Conductance in Silver Nanowires: correlation between atomic structure and transport properties
We have analyzed the atomic arrangements and quantum conductance of silver
nanowires generated by mechanical elongation. The surface properties of Ag
induce unexpected structural properties, as for example, predominance of high
aspect ratio rod-like wires. The structural behavior was used to understand the
Ag quantum conductance data and the proposed correlation was confirmed by means
of theoretical calculations. These results emphasize that the conductance of
metal point contacts is determined by the preferred atomic structures and, that
atomistic descriptions are essential to interpret the quantum transport
behavior of metal nanostructures.Comment: 4 pages, 4 figure
A Current Induced Transition in atomic-sized contacts of metallic Alloys
We have measured conductance histograms of atomic point contacts made from
the noble-transition metal alloys CuNi, AgPd, and AuPt for a concentration
ratio of 1:1. For all alloys these histograms at low bias voltage (below 300
mV) resemble those of the noble metals whereas at high bias (above 300 mV) they
resemble those of the transition metals. We interpret this effect as a change
in the composition of the point contact with bias voltage. We discuss possible
explanations in terms of electromigration and differential diffusion induced by
current heating.Comment: 5 pages, 6 figure
Quantum interference structures in the conductance plateaus of gold nanojunctions
The conductance of breaking metallic nanojunctions shows plateaus alternated
with sudden jumps, corresponding to the stretching of stable atomic
configurations and atomic rearrangements, respectively. We investigate the
structure of the conductance plateaus both by measuring the voltage dependence
of the plateaus' slope on individual junctions and by a detailed statistical
analysis on a large amount of contacts. Though the atomic discreteness of the
junction plays a fundamental role in the evolution of the conductance, we find
that the fine structure of the conductance plateaus is determined by quantum
interference phenomenon to a great extent.Comment: 4 pages, 4 figure
Transition from tunneling to direct contact in tungsten nanojunctions
We apply the mechanically controllable break junctions technique to
investigate the transition from tunneling to direct contact in tungsten. This
transition is quite different from that of other metals and is determined by
the local electronic properties of the tungsten surface and the relief of the
electrodes at the point of their closest proximity. The conductance traces show
a rich variety of patterns from the avalanche-like jump to a mesoscopic contact
to the completely smooth transition between direct contact and tunneling. Due
to the occasional absence of an adhesive jump the conductance of the contact
can be continuously monitored at ultra-small electrode separations. The
conductance histograms of tungsten are either featureless or show two distinct
peaks related to the sequential opening of spatially separated groups of
conductance channels. The role of surface states of tungsten and their
contribution to the junction conductance at sub-Angstrom electrode separations
are discussed.Comment: 6 pages, 6 figure
Electron-Transport Properties of Na Nanowires under Applied Bias Voltages
We present first-principles calculations on electron transport through Na
nanowires at finite bias voltages. The nanowire exhibits a nonlinear
current-voltage characteristic and negative differential conductance. The
latter is explained by the drastic suppression of the transmission peaks which
is attributed to the electron transportability of the negatively biased plinth
attached to the end of the nanowire. In addition, the finding that a voltage
drop preferentially occurs on the negatively biased side of the nanowire is
discussed in relation to the electronic structure and conduction.Comment: 4 pages, 6 figure
Conductance of single-atom platinum contacts: Voltage-dependence of the conductance histogram
The conductance of a single-atom contact is sensitive to the coupling of this
contact atom to the atoms in the leads. Notably for the transition metals this
gives rise to a considerable spread in the observed conductance values. The
mean conductance value and spread can be obtained from the first peak in
conductance histograms recorded from a large set of contact-breaking cycles. In
contrast to the monovalent metals, this mean value for Pt depends strongly on
the applied voltage bias and other experimental conditions, ranging from about
1 to 2.5 times 2e^2/h. We propose that the different results in part can be
explained by the inclusion of hydrogen in the contacts. The bias dependence of
the conductance is on the other hand due to the electron current that
destabilizes monatomic Pt chains at high bias.Comment: 4 pages, 4 figure
The Puzzling Stability of Monatomic Gold Wires
We have examined theoretically the spontaneous thinning process of
tip-suspended nanowires, and subsequently studied the structure and stability
of the monatomic gold wires recently observed by Transmission Electron
Microscopy (TEM). The methods used include thermodynamics, classical many-body
force simulations, Local Density (LDA) and Generalized Gradient (GGA)
electronic structure calculations as well as ab-initio simulations including
the two tips. The wire thinning is well explained in terms of a thermodynamic
tip suction driving migration of surface atoms from the wire to the tips. For
the same reason the monatomic wire becomes progressively stretched.
Surprisingly, however, all calculations so far indicate that the stretched
monatomic gold wire should be unstable against breaking, contrary to the
apparent experimental stability. The possible reasons for the observed
stability are discussed.Comment: 4 figure
On the statistical significance of the conductance quantization
Recent experiments on atomic-scale metallic contacts have shown that the
quantization of the conductance appears clearly only after the average of the
experimental results. Motivated by these results we have analyzed a simplified
model system in which a narrow neck is randomly coupled to wide ideal leads,
both in absence and presence of time reversal invariance. Based on Random
Matrix Theory we study analytically the probability distribution for the
conductance of such system. As the width of the leads increases the
distribution for the conductance becomes sharply peaked close to an integer
multiple of the quantum of conductance. Our results suggest a possible
statistical origin of conductance quantization in atomic-scale metallic
contacts.Comment: 4 pages, Tex and 3 figures. To be published in PR