arXiv subjects

A. K. Sood

Publications and source records attributed to A. K. Sood.

At least 127 records · Page 7Linked to original sources

arXiv2007

Raman spectroscopy of graphene on different substrates and influence of defects

We show the evolution of Raman spectra with number of graphene layers on different substrates, SiO$_{2}$/Si and conducting indium tin oxide (ITO) plate. The G mode peak position and the intensity ratio of G and 2D bands depend on the preparation of sample for the same number of graphene layers. The 2D Raman band has characteristic line shapes in single and bilayer graphene, capturing the differences in their electronic structure. The defects have a significant influence on the G band peak position for the single layer graphene: the frequency shows a blue shift upto 12 cm$^{-1}$ depending on the intensity of the D Raman band, which is a marker of the defect density. Most surprisingly, Raman spectra of graphene on the conducting ITO plates show a lowering of the G mode frequency by $\sim$ 6 cm$^{-1}$ and the 2D band frequency by $\sim$ 20 cm$^{-1}$. This red-shift of the G and 2D bands is observed for the first time in single layer graphene.

cond-mat.mtrl-sci↗

arXiv2007

Binding of Nucleobases with Single-Walled Carbon Nanotubes

We have calculated the binding energy of various nucleobases (guanine (G), adenine (A), thymine (T) and cytosine (C)) with (5,5) single-walled carbon nanotubes (SWNTs) using ab-initio Hartre-Fock method (HF) together with force field calculations. The gas phase binding energies follow the sequence G $>$ A $>$ T $>$ C. We show that main contribution to binding energy comes from van-der Wall (vdW) interaction between nanotube and nucleobases. We compare these results with the interaction of nucleobases with graphene. We show that the binding energy of bases with SWNTs is much lower than the graphene but the sequence remains same. When we include the effect of solvation energy (Poisson-Boltzman (PB) solver at HF level), the binding energy follow the sequence G $>$ T $>$ A $>$ C $>$, which explains the experiment\cite{zheng} that oligonucleotides made of thymine bases are more effective in dispersing the SWNT in aqueous solution as compared to poly (A) and poly (C). We also demonstrate experimentally that there is differential binding affinity of nucleobases with the single-walled carbon nanotubes (SWNTs) by directly measuring the binding strength using isothermal titration (micro) calorimetry. The binding sequence of the nucleobases varies as thymine (T) $>$ adenine (A) $>$ cytosine (C), in agreement with our calculation.

cond-mat.mtrl-sci↗

arXiv2007

Electrochemically Top Gated Graphene: Monitoring Dopants by Raman Scattering

We demonstrate electrochemical top gating of graphene by using a solid polymer electrolyte. This allows to reach much higher electron and hole doping than standard back gating. In-situ Raman measurements monitor the doping. The G peak stiffens and sharpens for both electron and hole doping, while the 2D peak shows a different response to holes and electrons. Its position increases for hole doping, while it softens for high electron doping. The variation of G peak position is a signature of the non-adiabatic Kohn anomaly at $Γ$. On the other hand, for visible excitation, the variation of the 2D peak position is ruled by charge transfer. The intensity ratio of G and 2D peaks shows a strong dependence on doping, making it a sensitive parameter to monitor charges.

cond-mat.mtrl-sci↗

arXiv2007

Probing the doping in metallic and semiconducting carbon nanotubes by Raman and transport measurements

In-situ Raman experiments together with transport measurements have been carried out on carbon nanotubes as a function of gate voltage. In metallic tubes, a large increase in the Raman frequency of the $G^-$ band, accompanied by a substantial decrease of its line-width, is observed with electron or hole doping. In addition, we see an increase in Raman frequency of the $G^+$ band in semiconducting tubes. These results are quantitatively explained using ab-initio calculations that take into account effects beyond the adiabatic approximation. Our results imply that Raman spectroscopy can be used as an accurate measure of the doping of both metallic and semiconducting nanotubes.

cond-mat.mes-hall↗

arXiv2007

Ordered spin-ice state in the geometrically frustrated metallic-ferromagnet Sm2Mo2O7

The recent discovery of Spin-ice is a spectacular example of non-coplanar spin arrangements that can arise in the pyrochlore A2B2O7 structure. We present magnetic and thermodynamic studies on the metallic-ferromagnet pyrochlore Sm2Mo2O7. Our studies, carried out on oriented crystals, suggest that the Sm spins have an ordered spin-ice ground state below about T* = 15 K. The temperature- and field-evolution of the ordered spin-ice state are governed by an antiferromagnetic coupling between the Sm and Mo spins. We propose that as a consequence of a robust feature of this coupling, the tetrahedra aligned with the external field adopt a "1-in, 3-out" spin structure as opposed to "3-in, 1-out" in dipolar spin ices, as the field exceeds a critical value.

cond-mat.str-el↗

arXiv2007

Frequency shift of optical phonons in doped graphene layers

We use first-principles density-functional calculations to determine the frequency shift of the A$'_1$-${\bf K}$ phonon (Raman D band) in monolayer graphene, as a function of the charge doping. A detailed DFT study on the electron-phonon coupling and the phonon line width of E$_{2g}$-${\bm Γ}$ and A$'_1$-${\bf K}$ phonons are also performed for graphene multi-layers. Furthermore, we explain the experimentally observed '1/(Number of Layers)' behaviour of the Raman G band position after including the dynamic response treated within time dependent perturbation theory.

cond-mat.mtrl-sci↗

arXiv2006

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.

cond-mat.soft↗

arXiv2006

Comparative High Pressure Raman Study of Boron Nitride Nanotubes and Hexagonal Boron Nitride

High pressure Raman experiments on Boron Nitride multi-walled nanotubes show that the intensity of the vibrational mode at ~ 1367 cm-1 vanishes at ~ 12 GPa and it does not recover under decompression. In comparison, the high pressure Raman experiments on hexagonal Boron Nitride show a clear signature of a phase transition from hexagonal to wurtzite at ~ 13 GPa which is reversible on decompression. These results are contrasted with the pressure behavior of carbon nanotubes and graphite.

cond-mat.mtrl-sci↗

arXiv2006

Collapse of Double-Walled Carbon Nanotube Bundles under Hydrostatic Pressure

We use classical molecular dynamics simulations to study the collapse of single (SWNT) and double-walled (DWNT) carbon nanotube bundles under hydrostatic pressure. The collapse pressure (pc) varies as 1/R^3, where R is the SWNT radius or the DWNT effective radius. The bundles show ~ 30% hysteresis and the hexagonally close packed lattice is completely restored on decompression. The pc of DWNT is found to be close to the sum of its values for the inner and the outer tubes considered separately as SWNT, demonstrating that the inner tube supports the outer tube and that the effective bending stiffness of DWNT, D(DWNT) ~ 2D(SWNT) . We use an elastica formulation to derive the scaling and the collapse behavior of DWNT and multi-walled carbon nanotubes.

cond-mat.other↗

arXiv2005

Laser induced reentrant freezing in two-dimensional attractive colloidal systems

The effects of an externally applied one-dimensional periodic potential on the freezing/melting behaviour of two-dimensional systems of colloidal particles with a short-range attractive interaction are studied using Monte Carlo simulations. In such systems, incommensuration results when the periodicity of the external potential does not match the length-scale at which the minimum of the attractive potential occurs. To study the effects of this incommensuration, we consider two different models for the system. Our simulations for both these models show the phenomenon of reentrant freezing as the strength of the periodic potential is varied. Our simulations also show that different exotic phases can form when the strength of the periodic potential is high, depending on the length-scale at which the minimum of the attractive pair-potential occurs.

cond-mat.soft↗

arXiv2005

Flow-induced currents in nanotubes: a Brownian dynamics approach

Motivated by recent experiments [Science {\bf 299}, 1042 (2003)] reporting that carbon nanotubes immersed in a flowing fluid displayed an electric current and voltage, we numerically study the behaviour of a collection of Brownian particles in a channel, in the presence of a flow field applied on similar but slower particles in a wide chamber in contact with the channel. For a suitable range of shear rates, we find that the flow field induces a unidirectional drift in the confined particles, and is stronger for narrower channels. The average drift velocity initially rises with increasing shear rate, then shows saturation for a while, thereafter starts decreasing, in qualitative agreement with recent theoretical studies [Phys. Rev. B {\bf 70}, 205423 (2004)] based on Brownian drag and ``loss of grip''. Interestingly, if the sign of the interspecies interaction is reversed, the direction of the induced drift remains the same, but the flow-rate at which loss of grip occurs is lower, and the level of fluctuations is higher.

cond-mat.stat-mech↗

arXiv2005

Electronic and vibrational Raman spectroscopy of Nd$_{0.5}$Sr$_{0.5}$MnO$_3$ through the phase transitions

Raman scattering experiments have been carried out on single crystals of Nd$_{0.5}$Sr$_{0.5}$MnO$_3$ as a function of temperature in the range of 320-50 K, covering the paramagnetic insulator-ferromagnetc metal transition at 250 K and the charge-ordering antiferromagnetic transition at 150 K. The diffusive electronic Raman scattering response is seen in the paramagnetic phase which continue to exist even in the ferromagnetic phase, eventually disappearing below 150 K. We understand the existence of diffusive response in the ferromagnetic phase to the coexistence of the different electronic phases. The frequency and linewidth of the phonons across the transitions show significant changes, which cannot be accounted for only by anharmonic interactions.

cond-mat.mtrl-sci↗

arXiv2005

Brillouin scattering studies in Fe$_3$O$_4$ across the Verwey transition

Brillouin scattering studies have been carried out on high quality single crystals of Fe$_3$O$_4$ with [100] and [110] faces in the temperature range of 300 to 30 K. The room temperature spectrum shows a surface Rayleigh wave (SRW) mode at 8 GHz and a longitudinal acoustic (LA) mode at 60 GHz. The SRW mode frequency shows a minimum at the Verwey transition temperature $T_V$ of 123 K. The softening of the SRW mode frequency from about 250 K to $T_V$ can be quantitatively understood as a result of a decrease in the shear elastic constant C$_{44}$, arising from the coupling of shear strain to charge fluctuations. On the other hand, the LA mode frequency does not show any significant change around $T_V$, but shows a large change in its intensity. The latter shows a maximum at around 120 K in the cooling run and at 165 K in the heating run, exhibiting a large hysteresis of 45 K. This significant change in intensity may be related to the presence of stress-induced ordering of Fe$^{3+}$ and Fe$^{2+}$ at the octahedral sites, as well as to stress-induced domain wall motion.

cond-mat.mtrl-sci↗

arXiv2005

Equilibrium glassy phase in a polydisperse hard sphere system

The phase diagram of a polydisperse hard sphere system is examined by numerical minimization of a discretized form of the Ramakrishnan-Yussouff free energy functional. Crystalline and glassy local minima of the free energy are located and the phase diagram in the density-polydispersity plane is mapped out by comparing the free energies of different local minima. The crystalline phase disappears and the glass becomes the equilibrium phase beyond a "terminal" value of the polydispersity. A crystal to glass transition is also observed as the density is increased at high polydispersity. The phase diagram obtained in our study is qualitatively similar to that of hard spheres in a quenched random potential.

cond-mat.stat-mech↗

arXiv2005

Routes to spatiotemporal chaos in the rheology of nematogenic fluids

With a view to understanding the ``rheochaos'' observed in recent experiments in a variety of orientable fluids, we study numerically the equations of motion of the spatiotemporal evolution of the traceless symmetric order parameter of a sheared nematogenic fluid. In particular we establish, by decisive numerical tests, that the irregular oscillatory behavior seen in a region of parameter space where the nematic is not stably flow-aligning is in fact spatiotemporal chaos. We outline the dynamical phase diagram of the model and study the route to the chaotic state. We find that spatiotemporal chaos in this system sets in via a regime of {\em spatiotemporal intermittency}, with a power-law distribution of the widths of laminar regions, as in H. Chaté and P. Manneville, Phys. Rev. Lett. {\bf 58}, 112 (1987). Further, the evolution of the histogram of band sizes shows a growing length-scale as one moves from the chaotic towards the flow aligned phase. Finally we suggest possible experiments which can observe the intriguing behaviors discussed here.

cond-mat.soft↗

arXiv2004

Effect of silica colloids on the rheology of viscoelastic gels formed by the surfactant cetyl trimethylammonium tosylate

The effects of the addition of sub-micrometer sized colloidal silica spheres on the linear and nonlinear rheology of semi-dilute solutions of a viscoelastic gel are studied. For a 1.4 wt.% solution of the surfactant CTAT, a peak in the zero shear rate viscosity $η_{\circ}$ is observed at approximately equal weight percents of silica and CTAT. This peak shifts to lower silica concentrations on increasing either the CTAT concentration or the surface charge on silica and disappears when the CTAT concentration is increased to 2.6wt%. The increases in $η_{\circ}$ and the high frequency plateau modulus G$_{\circ}$ on the introduction of SiO$_{2}$ are explained by considering the increasingly entangled wormlike micelles that are formed due to the enhanced screening of the electrostatic interactions. The observed decrease in the values of G$_{\circ}$ and $η_{\circ}$ at higher concentrations of silica particles is explained in terms of the formation of surfactant bilayers due to the adsorption of the positively charged cetyl trimethylammonium to the negatively charged silica.

cond-mat.soft↗

arXiv2004

Flow-induced voltage and current generation in carbon nanotubes

New experimental results, and a plausible theoretical understanding thereof, are presented for the flow-induced currents and voltages observed in single-walled carbon nanotube samples. In our experiments, the electrical response was found to be strongly sublinear -- nearly logarithmic -- in the flow speed over a wide range, and its direction could be controlled by an electrochemical biasing of the nanotubes. These experimental findings are inconsistent with the conventional idea of a streaming potential as the efficient cause. Here we present a new, physically appealing, Langevin-equation based treatment of the nanotube charge carriers, assumed to be moving under coulombic forcing by the correlated ionic fluctuations, advected by the liquid in flow. The resulting 'Doppler-shifted' force-force correlation, as seen by the charge carriers drifting in the nanotube, is shown to give a strongly sublinear response, broadly in agreement with experiments.

cond-mat.other↗

arXiv2003

Spatiotemporal rheochaos in nematic hydrodynamics

Motivated by the observation of rheochaos in sheared wormlike micelles [Bandyopadhyay et al., Phys. Rev. Lett, 84 2022, (2000); Europhys. Lett. 56, 447 (2001); Pramana 53, 223 (1999)] we study the coupled nonlinear partial differential equations for the hydrodynamic velocity and order parameter fields in a sheared nematogenic fluid. In a suitable parameter range, we find irregular, dynamic shear-banding and establish by decisive numerical tests that the chaos we observe in the model is spatiotemporal in nature.

cond-mat.soft↗