Electronic Structure and Properties of Magnetic Clusters and Nanotubes
The objectives of this seed are to investigate electronic structure and magnetic properties of free cobalt clusters and metal-encapsulated silicon tubular clusters, and to explore nanomagnetism of cobalt clusters embedded in a wide-bandgap semiconducting AlN matrix. We will determine low-lying geometric structure of Con clusters and SinM (M = Fe, Co, and Ni) tubular clusters, including their electronic structure, ionization potential and magnetic moments.
AlN is the widest band-gap semiconductor and is the only III-V based Al semiconductor compound with a direct bandgap.
