3,714 research outputs found
Nuclear Dynamics at the Balance Energy
We study the mass dependence of various quantities (like the average and
maximum density, collision rate, participant-spectator matter, temperature as
well as time zones for higher density) by simulating the reactions at the
energy of vanishing flow. This study is carried out within the framework of
Quantum Molecular Dynamics model. Our findings clearly indicate an existence of
a power law in all the above quantities calculated at the balance energy. The
only significant mass dependence was obtained for the temperature reached in
the central sphere. All other quantities are rather either insensitive or
depend weakly on the system size at balance energy. The time zone for higher
density as well as the time of maximal density and collision rate follow a
power law inverse to the energy of vanishing flow.Comment: 9 figures, Submitted to Phys. Rev.
On the balance energy and nuclear dynamics in peripheral heavy-ion collisions
We present here the system size dependence of balance energy for semi-central
and peripheral collisions using quantum molecular dynamics model. For this
study, the reactions of , ,
, , and
are simulated at different incident energies and impact
parameters. A hard equation of state along with nucleon-nucleon cross-sections
between 40 - 55 mb explains the data nicely. Interestingly, balance energy
follows a power law for the mass dependence at all
colliding geometries. The power factor is close to -1/3 in central
collisions whereas it is -2/3 for peripheral collisions suggesting stronger
system size dependence at peripheral geometries. This also suggests that in the
absence of momentum dependent interactions, Coulomb's interaction plays an
exceedingly significant role. These results are further analyzed for nuclear
dynamics at the balance point.Comment: 13 pages, 9 figures Accepted in IJMPE (in press
Enhanced Raman and photoluminescence response in monolayer MoS due to laser healing of defects
Bound quasiparticles, negatively charged trions and neutral excitons, are
associated with the direct optical transitions at the K-points of the Brillouin
zone for monolayer MoS. The change in the carrier concentration,
surrounding dielectric constant and defect concentration can modulate the
photoluminescence and Raman spectra. Here we show that exposing the monolayer
MoS in air to a modest laser intensity for a brief period of time enhances
simultaneously the photoluminescence (PL) intensity associated with both trions
and excitons, together with 3 to 5 times increase of the Raman intensity
of first and second order modes. The simultaneous increase of PL from trions
and excitons cannot be understood based only on known-scenario of depletion of
electron concentration in MoS by adsorption of O and HO molecules.
This is explained by laser induced healing of defect states resulting in
reduction of non-radiative Auger processes. This laser healing is corroborated
by an observed increase of intensity of both the first order and second order
2LA(M) Raman modes by a factor of 3 to 5. The A mode hardens by
1.4 cm whereas the E mode softens by 1 cm.
The second order 2LA(M) Raman mode at 440 cm shows an increase in
wavenumber by 8 cm with laser exposure. These changes are a
combined effect of change in electron concentrations and oxygen-induced lattice
displacements.Comment: 15 pages, 5 figures, Journal of Raman Spectroscopy, 201
Phonon Anomalies, Orbital-Ordering and Electronic Raman Scattering in iron-pnictide Ca(Fe0.97Co0.03)2As2: Temperature-dependent Raman Study
We report inelastic light scattering studies on Ca(Fe0.97Co0.03)2As2 in a
wide spectral range of 120-5200 cm-1 from 5K to 300K, covering the tetragonal
to orthorhombic structural transition as well as magnetic transition at Tsm ~
160K. The mode frequencies of two first-order Raman modes B1g and Eg, both
involving displacement of Fe atoms, show sharp increase below Tsm.
Concomitantly, the linewidths of all the first-order Raman modes show anomalous
broadening below Tsm, attributed to strong spin-phonon coupling. The high
frequency modes observed between 400-1200 cm-1 are attributed to the electronic
Raman scattering involving the crystal field levels of d-orbitals of Fe2+. The
splitting between xz and yz d-orbital levels is shown to be ~ 25 meV which
increases as temperature decreases below Tsm. A broad Raman band observed at ~
3200 cm-1 is assigned to two-magnon excitation of the itinerant Fe 3d
antiferromagnet.Comment: Accepted for Publication in JPC
Metallic monoclinic phase in VO induced by electrochemical gating: in-situ Raman study
We report in-situ Raman scattering studies of electrochemically top gated
VO thin film to address metal-insulator transition (MIT) under gating. The
room temperature monoclinic insulating phase goes to metallic state at a gate
voltage of 2.6 V. However, the number of Raman modes do not change with
electrolyte gating showing that the metallic phase is still monoclinic. The
high frequency Raman mode A(7) near 616 cm ascribed to V-O vibration
of bond length 2.06 \AA~ in VO octahedra hardens with increasing gate
voltage and the B(3) mode near 654 cm softens. This shows that the
distortion of the VO octahedra in the monoclinic phase decreases with
gating. The time dependent Raman data at fixed gate voltages of 1 V (for 50
minute, showing enhancement of conductivity by a factor of 50) and 2 V (for 130
minute, showing further increase in conductivity by a factor of 5) show similar
changes in high frequency Raman modes A(7) and B(3) as observed in
gating. This slow change in conductance together with Raman frequency changes
show that the governing mechanism for metalization is more likely to the
diffusion controlled oxygen vacancy formation due to the applied electric
field.Comment: 5 pages, 6 figure
Symmetry-dependent phonon renormalization in monolayer MoS2 transistor
Strong electron-phonon interaction which limits electronic mobility of
semiconductors can also have significant effects on phonon frequencies. The
latter is the key to the use of Raman spectroscopy for nondestructive
characterization of doping in graphene-based devices. Using in-situ Raman
scattering from single layer MoS electrochemically top-gated field effect
transistor (FET), we show softening and broadening of A phonon with
electron doping whereas the other Raman active E mode remains
essentially inert. Confirming these results with first-principles density
functional theory based calculations, we use group theoretical arguments to
explain why A mode specifically exhibits a strong sensitivity to
electron doping. Our work opens up the use of Raman spectroscopy in probing the
level of doping in single layer MoS-based FETs, which have a high on-off
ratio and are of enormous technological significance.Comment: 5 pages, 3 figure
Critical behavior at de-pinning of a driven disordered vortex matter in 2H-NbS2
We report unusual jamming in driven ordered vortex flow in 2H-NbS2.
Reinitiating movement in these jammed vortices with a higher driving force, and
halting it thereafter once again with a reduction in drive, unfolds a critical
behavior centered around the de-pinning threshold via divergences in the
lifetimes of transient states, validating the predictions of a recent
simulation study, which also pointed out a correspondence between plastic
de-pinning in vortex matter and the notion of random organization proposed in
the context of sheared colloids undergoing diffusive motion.Comment: Phys. Rev. B (in press, 2012). The paper has 14 pages of Text+ Refs.
with 4 figures. (Note as some of the figure files are large in size, to
enable faster download, the file size has been kept small and the figure
resolution are low. The online version of the paper to appear in PRB will
contain the higher resolution figures
Structure of poly(propyl ether imine) (PETIM) dendrimer from fully atomistic molecular Dynamics Simulation and by Small Angle X-ray scattering
We study the structure of carboxylic acid terminated neutral poly (propyl
ether imine) (PETIM) dendrimer from generation 1 through 6 (G1-G6) in a good
solvent (water) by fully atomistic molecular dynamics (MD) simulations. We
determine as a function of generation such structural properties as: radius of
gyration, shape tensor, asphericity, fractal dimension, monomer density
distribution, and end-group distribution functions. The sizes obtained from the
MD simulations have been validated by Small Angle X-Ray Scattering (SAXS)
experiment on dendrimer of generation 2 to 4 (G2-G4). A good agreement between
the experimental and theoretical value of radius of gyration has been observed.
We find a linear increase in radius of gyration with the generation. In
contrast, Rg scales as ~ N^x with the number of monomers. We find two distinct
exponents depending on the generations: x = 0.47 for G1-G3 and x = 0.28 for
G3-G6 which reveals their non-space filling nature. In comparison with the
amine terminated PAMAM dendrimer, we find Rg of G-th generation PETIM dendrimer
is nearly equal to that of (G+1)-th generation of PAMAM dendrimer as observed
by Maiti et. al. [Macromolecules,38, 979 2005]. We find substantial back
folding of the outer sub generations into the interior of the dendrimer. Due to
their highly flexible nature of the repeating branch units, the shape of the
PETIM dendrimer deviates significantly from the spherical shape and the
molecules become more and more spherical as the generation increases. The
interior of the dendrimer is quite open with internal cavities available for
accommodating guest molecules suggesting using PETIM dendrimer for guest-host
applications. We also give a quantitative measure of the number of water
molecules present inside the dendrimer.Comment: 33 page
Sharp Raman Anomalies and Broken Adiabaticity at a Pressure Induced Transition from Band to Topological Insulator in Sb2Se3
The nontrivial electronic topology of a topological insulator is thus far
known to display signatures in a robust metallic state at the surface. Here, we
establish vibrational anomalies in Raman spectra of the bulk that signify
changes in electronic topology: an E2 g phonon softens unusually and its
linewidth exhibits an asymmetric peak at the pressure induced electronic
topological transition (ETT) in Sb2Se3 crystal. Our first-principles
calculations confirm the electronic transition from band to topological
insulating state with reversal of parity of electronic bands passing through a
metallic state at the ETT, but do not capture the phonon anomalies which
involve breakdown of adiabatic approximation due to strongly coupled dynamics
of phonons and electrons. Treating this within a four-band model of topological
insulators, we elucidate how nonadiabatic renormalization of phonons
constitutes readily measurable bulk signatures of an ETT, which will facilitate
efforts to develop topological insulators by modifying a band insulator
Raman anomalies as signatures of pressure induced electronic topological and structural transitions in black phosphorus: Experiments and Theory
We report high pressure Raman experiments of Black phosphorus up to 24 GPa.
The line widths of first order Raman modes A, B and A of the
orthorhombic phase show a minimum at 1.1 GPa. Our first-principles density
functional analysis reveals that this is associated with the anomalies in
electron-phonon coupling at the semiconductor to topological insulator
transition through inversion of valence and conduction bands marking a change
from trivial to nontrivial electronic topology. The frequencies of B and
A modes become anomalous in the rhombohedral phase at 7.4 GPa, and new
modes appearing in the rhombohedral phase show anomalous softening with
pressure. This is shown to originate from unusual structural evolution of black
phosphorous with pressure, based on first-principles theoretical analysis.Comment: 13pages, 12figure
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