Areas of Research:
In our group, we are primarily
involved with first-principles density functional investigation in condensed
systems that are of interest in materials science and device physics. Some of
the areas of interest are:
· Graphene, Boron Nitride and related functionalized 2D nanostructure.
· Hydrogen storage materials : from Bulk to Nano
· Diluted Magnetic Semiconductor (DMS) and Diluted Magnetic Oxide (DMO) based spintronics materials.
· Strongly correlated and magnetic materials.
· Ground state properties of free and supported homo- and hetero-clusters
· Phase stability and configurational thermodynamics of binary alloys.
· Cohesive, Electronic and Magnetic properties of ordered intermetallics and disordered alloys
· Electronic properties of epitaxial metal/semiconductor and metal/ceramic interfaces, metallic multilayers and polytypes.
· Electron momentum density distributions in solids (using Compton Scattering and Positron Annihilation).
