Project abstract for group wangjp

Theoretical Study of Fe16N2

This group is studying the electronic structure of Fe16N2. This will be an important theoretical aspect to correlate with their experimental result. Calculations on Fe16N2 structure, its dynamic properties, and possible interaction with other materials are systematically studied with Density Functional Theory. The group is also interested in the doping and seed layer effect of Fe16N2 thin film, and various elements will be investigated.

A bibliography of this group’s publications acknowledging MSI is attached.