1,117 research outputs found
Electron Transport and Hot Phonons in Carbon Nanotubes
We demonstrate the key role of phonon occupation in limiting the high-field
ballistic transport in metallic carbon nanotubes. In particular, we provide a
simple analytic formula for the electron transport scattering length, that we
validate by accurate first principles calculations on (6,6) and (11,11)
nanotubes. The comparison of our results with the scattering lengths fitted
from experimental I-V curves indicates the presence of a non-equilibrium
optical phonon heating induced by electron transport. We predict an effective
temperature for optical phonons of thousands Kelvin.Comment: 4 pages, 1 figur
Kohn Anomalies and Electron-Phonon Interaction in Graphite
We demonstrate that graphite phonon dispersions have two Kohn anomalies at
the Gamma-E_2g and K-A'1 modes. The anomalies are revealed by two sharp kinks.
By an exact analytic derivation, we show that the slope of these kinks is
proportional to the square of the electron-phonon coupling (EPC). Thus, we can
directly measure the EPC from the experimental dispersions. The Gamma-E_2g and
K-A'1 EPCs are particularly large, whilst they are negligible for all the other
modes at Gamma and K.Comment: 4 pages, 2 figure
Phonon Linewidths and Electron Phonon Coupling in Nanotubes
We prove that Electron-phonon coupling (EPC) is the major source of
broadening for the Raman G and G- peaks in graphite and metallic nanotubes.
This allows us to directly measure the optical-phonon EPCs from the G and G-
linewidths. The experimental EPCs compare extremely well with those from
density functional theory. We show that the EPC explains the difference in the
Raman spectra of metallic and semiconducting nanotubes and their dependence on
tube diameter. We dismiss the common assignment of the G- peak in metallic
nanotubes to a Fano resonance between phonons and plasmons. We assign the G+
and G- peaks to TO (tangential) and LO (axial) modes.Comment: 5 pages, 4 figures (correction in label of fig 3
Phonon surface mapping of graphite: disentangling quasi--degenerate phonon dispersions
The two-dimensional mapping of the phonon dispersions around the point of
graphite by inelastic x-ray scattering is provided. The present work resolves
the longstanding issue related to the correct assignment of transverse and
longitudinal phonon branches at . We observe an almost degeneracy of the
three TO, LA and LO derived phonon branches and a strong phonon trigonal
warping. Correlation effects renormalize the Kohn anomaly of the TO mode, which
exhibits a trigonal warping effect opposite to that of the electronic band
structure. We determined the electron--phonon coupling constant to be
166 in excellent agreement to calculations. These results
are fundamental for understanding angle-resolved photoemission,
double--resonance Raman and transport measurements of graphene based systems
A study on the dependence of structure of multi-walled carbon nanotubes on acid treatment
In the current research, the role of both concentrated nitric acid and ultrasound waves on oxidation of multi-walled carbon nanotubes (MWNTs) was studied. The functionalized MWCNTs were characterized by transmission electron microscopy (TEM), thermogravimetric analyzer, and Fourier transform infrared spectroscopy (FTIR) techniques. It was found that desirable modifications to MWNTs occurred after acid treatment. Carboxylic acid groups were appeared on the side surfaces of MWNTs. FTIR presented the formation of oxygen-containing groups such as C=O and COOH after modification by concentrated nitric acid. The TEM images showed that the aspect ratio of opened MWCNTs was controlled by both ultrasonic waves and acid treatment time. It was also found that the exposure of about 4 h in nitric acid led to the highest removal of the impurities with the least destructive effect
Phonon dispersion and lifetimes in MgB2
We measure phonon dispersion and linewidth in a single crystal of MgB_2 along
the Gamma-A, Gamma-M and A-L directions using inelastic X-Ray scattering. We
use Density Functional Theory to compute the effect of both electron-phonon
coupling and anharmonicity on the linewidth, obtaining excellent agreement with
experiment. Anomalous broadening of the E_2g phonon mode is found all along
Gamma-A. The dominant contribution to the linewidth is always the
electron-phonon coupling.Comment: 4 pages, 3 figure
High-order density-matrix perturbation theory
We present a simple formalism for the calculation of the derivatives of the
electronic density matrix at any order, within density functional theory. Our
approach, contrary to previous ones, is not based on the perturbative expansion
of the Kohn-Sham wavefunctions. It has the following advantages: (i) it allows
a simple derivation for the expression for the high order derivatives of the
density matrix; (ii) in extended insulators, the treatment of
uniform-electric-field perturbations and of the polarization derivatives is
straightforward.Comment: 4 page
Applying infrared thermography to soil surface temperature monitoring: Case study of a high-resolution 48 h survey in a vineyard (Anadia, Portugal)
The soil surface albedo decreases with an increasing biochar application rate as a power decay function, but the net impact of biochar application on soil temperature dynamics remains to be clarified. The objective of this study was to assess the potential of infrared thermography (IRT) sensing by monitoring soil surface temperature (SST) with a high spatiotemporal and thermal resolution in a scalable agricultural application. We monitored soil surface temperature (SST) variations over a 48 h period for three treatments in a vineyard: bare soil (plot S), 100% biochar cover (plot B), and biochar-amended topsoil (plot SB). The SST of all plots was monitored at 30 min intervals with a tripod-mounted IR thermal camera. The soil temperature at 10 cm depth in the S and SB plots was monitored continuously with a 5 min resolution probe. Plot B had greater daily SST variations, reached a higher daily temperature peak relative to the other plots, and showed a faster rate of T increase during the day. However, on both days, the SST of plot B dipped below that of the control treatment (plot S) and biochar-amended soil (plot SB) from about 18:00 onward and throughout the night. The diurnal patterns/variations in the IRT-measured SSTs were closely related to those in the soil temperature at a 10 cm depth, confirming that biochar-amended soils showed lower thermal inertia than the unamended soil. The experiment provided interesting insights into SST variations at a local scale. The case study may be further developed using fully automated SST monitoring protocols at a larger scale for a range of environmental and agricultural applications
First principles calculation of vibrational Raman spectra in large systems: signature of small rings in crystalline SiO2
We present an approach for the efficient calculation of vibrational Raman
intensities in periodic systems within density functional theory. The Raman
intensities are computed from the second order derivative of the electronic
density matrix with respect to a uniform electric field. In contrast to
previous approaches, the computational effort required by our method for the
evaluation of the intensities is negligible compared to that required for the
calculation of vibrational frequencies. As a first application, we study the
signature of 3- and 4-membered rings in the the Raman spectra of several
polymorphs of SiO2, including a zeolite having 102 atoms per unit cell.Comment: 4 pages, 2 figures, revtex4 Minor corrections; accepted in Phys. Rev.
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