1,063 research outputs found
Tuning the polarized quantum phonon transmission in graphene nanoribbons
We propose systems that allow a tuning of the phonon transmission function
T() in graphene nanoribbons by using C isotope barriers, antidot
structures, and distinct boundary conditions. Phonon modes are obtained by an
interatomic fifth-nearest neighbor force-constant model (5NNFCM) and
T() is calculated using the non-equilibrium Green's function formalism.
We show that by imposing partial fixed boundary conditions it is possible to
restrict contributions of the in-plane phonon modes to T() at low
energy. On the contrary, the transmission functions of out-of-plane phonon
modes can be diminished by proper antidot or isotope arrangements. In
particular, we show that a periodic array of them leads to sharp dips in the
transmission function at certain frequencies which can be
pre-defined as desired by controlling their relative distance and size. With
this, we demonstrated that by adequate engineering it is possible to govern the
magnitude of the ballistic transmission functions T in graphene
nanoribbons. We discuss the implications of these results in the design of
controlled thermal transport at the nanoscale as well as in the enhancement of
thermo-electric features of graphene-based materials
Partially unzipped carbon nanotubes as magnetic field sensors
The conductance, , through graphene nanoribbons (GNR) connected to a
partially unzipped carbon nanotube (CNT) is studied in the presence of an
external magnetic field applied parallel to the long axis of the tube by means
of non-equilibrium Green's function technique. We consider (z)igzag and
(a)rmchair CNTs that are partially unzipped to form aGNR/zCNT/aGNR or
zGNR/aCNT/zGNR junctions. We find that the inclusion of a longitudinal magnetic
field affects the electronic states only in the CNT region, leading to the
suppression of the conductance at low energies. Unlike previous studies, for
the zGNR/aCNT/zGNR junction in zero field, we find a sharp dip in the
conductance as the energy approaches the Dirac point and we attribute this
non-trivial behavior to the peculiar band dispersion of the constituent
subsystems. We demonstrate that both types of junctions can be used as magnetic
field sensors.Comment: final version to appear in Applied Physics Letter
Spectral gap induced by structural corrugation in armchair graphene nanoribbons
We study the effects of the structural corrugation or rippling on the
electronic properties of undoped armchair graphene nanoribbons (AGNR). First,
reanalyzing the single corrugated graphene layer we find that the two
inequivalent Dirac points (DP), move away one from the other. Otherwise, the
Fermi velocity decrease by increasing rippling. Regarding the AGNRs, whose
metallic behavior depends on their width, we analyze in particular the case of
the zero gap band-structure AGNRs. By solving the Dirac equation with the
adequate boundary condition we show that due to the shifting of the DP a gap
opens in the spectra. This gap scale with the square of the rate between the
high and the wavelength of the deformation. We confirm this prediction by exact
numerical solution of the finite width rippled AGNR. Moreover, we find that the
quantum conductance, calculated by the non equilibrium Green's function
technique vanish when the gap open. The main conclusion of our results is that
a conductance gap should appear for all undoped corrugated AGNR independent of
their width.Comment: 7 pages, 5 figure
The role of atomic vacancies and boundary conditions on ballistic thermal transport in graphene nanoribbons
Quantum thermal transport in armchair and zig-zag graphene nanoribbons are
investigated in the presence of single atomic vacancies and subject to
different boundary conditions. We start with a full comparison of the phonon
polarizations and energy dispersions as given by a fifth-nearest-neighbor
force-constant model (5NNFCM) and by elasticity theory of continuum membranes
(ETCM). For free-edges ribbons we discuss the behavior of an additional
acoustic edge-localized flexural mode, known as fourth acoustic branch (4ZA),
which has a small gap when it is obtained by the 5NNFCM. Then, we show that
ribbons with supported-edges have a sample-size dependent energy gap in the
phonon spectrum which is particularly large for in-plane modes. Irrespective to
the calculation method and the boundary condition, the dependence of the energy
gap for the low-energy optical phonon modes against the ribbon width W is found
to be proportional to 1/W for in-plane, and 1/W for out-of-plane phonon
modes. Using the 5NNFCM, the ballistic thermal conductance and its
contributions from every single phonon mode are then obtained by the non
equilibrium Green's function technique. We found that, while edge and central
localized single atomic vacancies do not affect the low-energy transmission
function of in-plane phonon modes, they reduce considerably the contributions
of the flexural modes. On the other hand, in-plane modes contributions are
strongly dependent on the boundary conditions and at low temperatures can be
highly reduced in supported-edges samples. These findings could open a route to
engineer graphene based devices where it is possible to discriminate the
relative contribution of polarized phonons and to tune the thermal transport on
the nanoscale
Spatial models for architectural heritage in urban database context
Despite the GIS (Geographic Information Systems/Geospatial Information Systems) have been provided with several applications to
manage the two-dimensional geometric information and arrange the topological relations among different spatial primitives, most of
these systems have limited capabilities to manage the three-dimensional space. Other tools, such as CAD systems, have already
achieved a full capability of representing 3D data. Most of the researches in the field of GIS have underlined the necessity of a full
3D management capability which is not yet achieved by the available systems (Rahman, Pilouk 2008) (Zlatanova 2002). First of all
to reach this goal is important to define the spatial data model, which is at the same time a geometric and topological model and so
integrating these two aspects in relation to the database management efficiency and documentation purposes. The application field
on which these model can be tested is the spatial data managing of Architectural Heritage documentation, to evaluate the pertinence
of these spatial models to the requested scale for the needs of such a documentation. Most of the important aspects are the integration
of metric data originated from different sources and the representation and management of multiscale data. The issues connected
with the representation of objects at higher LOD than the ones defined by the CityGML will be taken into account. The aim of this
paper is then to investigate which are the favorable application of a framework in order to integrate two different approaches:
architectural heritage spatial documentation and urban scale spatial data management
Integrazione di database spaziali multiscala in ambito urbano
An information data infrastructure is one of the key to assure efficiency and sustainability for urban processes management. In this field spatial data management plays a central role with a focus on thematic and geometric integration, multi-scale modelling and flexibility to specific needs. These goals can be achieved through the provision of specific standards and tools for data modelling and information retrieving. The widening of the application fields of GIS to the architectural representations of the cultural heritage documentation and consequently the 3D data management support are two of the major issues for filling the gap between the CAD and GIS and their cultural and productive background. Her will be presented some preliminary issues of a test on spatal data integration in a XML based data structure following the OGC's CityGML specifications. The model implementation will focus on the multiscale and multiview modelling tools of standard as a first stepo for the management of a 3D spatial database through XML based application tool
Anderson impurity in the one-dimensional Hubbard model on finite size systems
An Anderson impurity in a Hubbard model on chains with finite length is
studied using the density-matrix renormalization group (DMRG) technique. In the
first place, we analyzed how the reduction of electron density from
half-filling to quarter-filling affects the Kondo resonance in the limit of
Hubbard repulsion U=0. In general, a weak dependence with the electron density
was found for the local density of states (LDOS) at the impurity except when
the impurity, at half-filling, is close to a mixed valence regime. Next, in the
central part of this paper, we studied the effects of finite Hubbard
interaction on the chain at quarter-filling. Our main result is that this
interaction drives the impurity into a more defined Kondo regime although
accompanied in most cases by a reduction of the spectral weight of the impurity
LDOS. Again, for the impurity in the mixed valence regime, we observed an
interesting nonmonotonic behavior. We also concluded that the conductance,
computed for a small finite bias applied to the leads, follows the behavior of
the impurity LDOS, as in the case of non-interacting chains. Finally, we
analyzed how the Hubbard interaction and the finite chain length affect the
spin compensation cloud both at zero and at finite temperature, in this case
using quantum Monte Carlo techniques.Comment: 9 pages, 9 figures, final version to be published in Phys. Rev.
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