210 research outputs found
Quantum heat transfer through an atomic wire
We studied the phononic heat transfer through an atomic dielectric wire with
both infinite and finite lengths by using a model Hamiltonian approach. At low
temperature under ballistic transport, the thermal conductance contributed by
each phonon branch of a uniform and harmonic chain cannot exceed the well-known
value which depends linearly on temperature but is material independent. We
predict that this ballistic thermal conductance will exhibit stepwise behavior
as a function of temperature. By performing numerical calculations on a more
realistic system, where a small atomic chain is placed between two reservoirs,
we also found resonance modes, which should also lead to the stepwise behavior
in the thermal conductance.Comment: 14 pages, 2 separate figure
Model Predictive Control of Nonholonomic Mobile Robots Without Stabilizing Constraints and Costs
Structure of aluminum atomic chains
First-principles density functional calculations reveal that aluminum can
form planar chains in zigzag and ladder structures. The most stable one has
equilateral triangular geometry with four nearest neighbors; the other stable
zigzag structure has wide bond angle and allows for two nearest neighbors. An
intermediary structure has the ladder geometry and is formed by two strands.
All these planar geometries are, however, more favored energetically than the
linear chain. We found that by going from bulk to a chain the character of
bonding changes and acquires directionality. The conductance of zigzag and
linear chains is 4e^2/h under ideal ballistic conditions.Comment: modified detailed version, one new structure added, 4 figures,
modified figure1, 1 tabl
Pentagonal nanowires: a first-principles study of atomic and electronic structure
We performed an extensive first-principles study of nanowires in various
pentagonal structures by using pseudopotential plane wave method within the
density functional theory. Our results show that nanowires of different types
of elements, such as alkali, simple, transition and noble metals and inert gas
atoms, have a stable structure made from staggered pentagons with a linear
chain perpendicular to the planes of the pentagons and passing through their
centers. This structure exhibits bond angles close to those in the icosahedral
structure. However, silicon is found to be energetically more favorable in the
eclipsed pentagonal structure. These quasi one dimensional pentagonal nanowires
have higher cohesive energies than many other one dimensional structures and
hence may be realized experimentally. The effect of magnetic state are examined
by spin-polarized calculations. The origin of the stability are discussed by
examining optimized structural parameters, charge density and electronic band
structure, and by using analysis based on the empirical Lennard-Jones type
interaction. Electronic band structure of pentagonal wires of different
elements are discussed and their effects on quantum ballistic conductance are
mentioned. It is found that the pentagonal wire of silicon exhibits metallic
band structure.Comment: 4 figures, accepted for publication in Phys. Rev.
Quantum point contact on graphite surface
The conductance through a quantum point contact created by a sharp and hard
metal tip on the graphite surface has features which to our knowledge have not
been encountered so far in metal contacts or in nanowires. In this paper we
first investigate these features which emerge from the strongly directional
bonding and electronic structure of graphite, and provide a theoretical
understanding for the electronic conduction through quantum point contacts. Our
study involves the molecular-dynamics simulations to reveal the variation of
interlayer distances and atomic structure at the proximity of the contact that
evolves by the tip pressing toward the surface. The effects of the elastic
deformation on the electronic structure, state density at the Fermi level, and
crystal potential are analyzed by performing self-consistent-field
pseudopotential calculations within the local-density approximation. It is
found that the metallicity of graphite increases under the uniaxial compressive
strain perpendicular to the basal plane. The quantum point contact is modeled
by a constriction with a realistic potential. The conductance is calculated by
representing the current transporting states in Laue representation, and the
variation of conductance with the evolution of contact is explained by taking
the characteristic features of graphite into account. It is shown that the
sequential puncturing of the layers characterizes the conductance.Comment: LaTeX, 11 pages, 9 figures (included), to be published in Phys. Rev.
B, tentatively scheduled for 15 September 1998 (Volume 58, Number 12
Spontaneous magnetization of aluminum nanowires deposited on the NaCl(100) surface
We investigate electronic structures of Al quantum wires, both unsupported
and supported on the (100) NaCl surface, using the density-functional theory.
We confirm that unsupported nanowires, constrained to be linear, show
magnetization when elongated beyond the equilibrium length. Allowing ions to
relax, the wires deform to zig-zag structures with lower magnetization but no
dimerization occurs. When an Al wire is deposited on the NaCl surface, a
zig-zag geometry emerges again. The magnetization changes moderately from that
for the corresponding unsupported wire. We analyse the findings using electron
band structures and simple model wires.Comment: submitted to PHys. Rev.
Quantum transport through a DNA wire in a dissipative environment
Electronic transport through DNA wires in the presence of a strong
dissipative environment is investigated. We show that new bath-induced
electronic states are formed within the bandgap. These states show up in the
linear conductance spectrum as a temperature dependent background and lead to a
crossover from tunneling to thermal activated behavior with increasing
temperature. Depending on the strength of the electron-bath coupling, the
conductance at the Fermi level can show a weak exponential or even an algebraic
length dependence. Our results suggest a new environmental-induced transport
mechanism. This might be relevant for the understanding of molecular conduction
experiments in liquid solution, like those recently performed on poly(GC)
oligomers in a water buffer (B. Xu et al., Nano Lett 4, 1105 (2004)).Comment: 5 pages, 3 figure
Multiple Functionality in Nanotube Transistors
Calculations of quantum transport in a carbon nanotube transistor show that
such a device offers unique functionality. It can operate as a ballistic
field-effect transistor, with excellent characteristics even when scaled to 10
nm dimensions. At larger gate voltages, channel inversion leads to resonant
tunneling through an electrostatically defined nanoscale quantum dot. Thus the
transistor becomes a gated resonant tunelling device, with negative
differential resistance at a tunable threshold. For the dimensions considered
here, the device operates in the Coulomb blockade regime, even at room
temperature.Comment: To appear in Phys. Rev. Let
Giant magnetoresistance of multiwall carbon nanotubes: modeling the tube/ferromagnetic-electrode burying contact
We report on the giant magnetoresistance (GMR) of multiwall carbon nanotubes
with ultra small diameters. In particular, we consider the effect of the
inter-wall interactions and the lead/nanotube coupling. Comparative studies
have been performed to show that in the case when all walls are well coupled to
the electrodes, the so-called inverse GMR can appear. The tendency towards a
negative GMR depends on the inter-wall interaction and on the nanotube le ngth.
If, however, the inner nanotubes are out of contact with one of the electrodes,
the GMR remains positive even for relatively strong inter-wall interactions
regardless of the outer nanotube length. These results shed additional light on
recently reported experimental data, where an inverse GMR was found in some
multiwall carbon nanotube samples.Comment: 5 pages, 5 figure
Carbon nanotube-based quantum pump in the presence of superconducting lead
Parametric electron pump through superconductor-carbon-nanotube based
molecular devices was investigated. It is found that a dc current, which is
assisted by resonant Andreev reflection, can be pumped out from such molecular
device by a cyclic variation of two gate voltages near the nanotube. The pumped
current can be either positive or negative under different system parameters.
Due to the Andreev reflection, the pumped current has the double peak structure
around the resonant point. The ratio of pumped current of N-SWNT-S system to
that of N-SWNT-N system (I^{NS}/I^N) is found to approach four in the weak
pumping regime near the resonance when there is exactly one resonant level at
Fermi energy inside the energy gap. Numerical results confirm that in the weak
pumping regime the pumped current is proportional to the square of the pumping
amplitude V_p, but in the strong pumping regime the pumped current has the
linear relation with V_p. Our numerical results also predict that pumped
current can be obtained more easily by using zigzag tube than by using armchair
tube
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