This book introduces nanoscale modelling and simulation by employing molecular dynamics and density functional theory for semiconductor nanostructures: gallium nitride and zinc oxide, for their functional properties. Novel synthesis technique has been adopted to achieve undoped and doped nanostructures of zinc oxide for their novel optical and luminescence properties and the results are compared with density functional theory calculations.

J.V.N. Sarma has M.Sc. in Physics (A.U., India) & M.Tech. in Nanotechnology (IIT-R,India). He has about seven years of experience in the fields of design and fabrication of MEMS, microsensors, and modelling & simulation. His current interests are functional properties of nanomaterials for device applications and also their modelling & simulation.