Cairo University

MTPR Journal

 

The electronic band structure of Nd2Fe14B from First-Principles calculations

2014-12-19 & doi: https://doi.org/10.19138/MTPR/(14)52-57
Abeer E. Aly

Electronic structure calculations for the permanent magnet material Nd2Fe14B has been calculated using spin-polarized full potential linearized augmented plane wave (FPLAPW) method. This method is highly effective for systems with very complex structures. The results presented include the band structure of Nd(4f) site and their partial density of states (DOS). The band structure for Nd (4f) site is in good agreement with the self-consistent calculations. We calculated the results for Nd2Fe14B by spin polarized without spin-orbit coupling.