University of Minnesota
University Relations

Minnesota Supercomputing Institute

Log out of MyMSI

Research Abstracts Online
January - December 2011

Main TOC ...... Next Abstract

University of Minnesota Twin Cities
College of Science and Engineering
Department of Electrical and Computer Engineering

PI: Jian-Ping Wang

First Principles Calculation of Giant Saturation Magnetization of Iron Nitride

These researchers are interested in the giant saturation magnetization of Fe16N2. In order to understand how this magnetization comes into being, they are theoretically calculating the band structure, crystal field, and exchange energy of the bct structure of Fe16N2. They use DFT as the basis for calculation and the software Quantum Espresso in order to incorporate interactions like the Coulomb potential.

Group Members

Matteo Cococcioni, Faculty Collaborator
Xiaowei Zhang, Graduate Student