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V. K. Jindal

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Uptil recent past, we have devoted significant effort on understanding harmonic and anharmonic effects in simple, molecular and complex solids. Codes were developed in early eighties to compute phonon line widths and shifts in molecular crystals. Experiments using inelastic neutron scattering were also carried out to measure the temperature dependence of phonon profiles and correlating these with theoretical models for organic molecular crystals. Study of micellar systems using Small Angle Neutron Scattering Experiments leading to shear induced organization and decay of rod-like mi-cells was carried out.

Since recently, we have been involved in areas of research, like modelling structure and dynamics of doped and undoped carbon cluster solids, fullerene solids, carbon nanotubes and nanoparticales, simple and organic molecular crystals. We also study anharmonic effects, and energy flow in materials under high static and dynamic pressure.

Experimental activities involve irradiation of thin film samples to heavy and swift ions and characterizing them looking for phase transformations, effect of fluence and ion mass and charge, and modification of chemical bonding. We also work on methods to produce carbon nanotubes.

Fullerene Solids and Nanotubes: Using theoretical model potentials, we study bulk, structure and thermodynamic properties of materials of carbon nanotubes and fullerenes. This has also helped in studying phase transformations under high pressure and temperature in these materials. Also structure of single wall nantubes has been studied in detail under hydrostatic  pressure.

Very recently, we started to investigate hetero-fullerenes, polynitrogen clusters inside fullerene cage and graphene with boron and nitrogen doping, and use abinitio calculations to study electronic, structural and vibrational  properties. We also calculate structure and magnetic properties of semiconducting Ge, ZnO and fullerne nano clusters.

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