“…However, it took another 20 years for the result to be reproduced (and, in fact, surpassed) by Sugita et al 3,4 Throughout the 1980s and '90s, other measurements of Fe 16 N 2 thin films were reported that generally did not find this large magnetic moment. [5][6][7][8] Concurrently, density-functional theory (DFT) electronic structure calculations were performed, 9-14 finding the moment per Fe ion to be modestly increased with respect to bulk bcc Fe but far short of the 3.5 µ B reported by Sugita et al It was shown 15 that LSDA+U 18 calculations could yield an average moment comparable to that of some experiments (∼ 2.8µ B per Fe), but the parameters (U ≈ 3.94, 1.0, and 1.34 eV on the 4d, 4e, and 8h sites, respectively, with J = U/10) were obtained via an embedded-cluster method with a small screening constant and were not calculated from first principles. Additionally, the J parameter is smaller than usually considered appropriate for transition metals (typically one chooses either an atomic-like J of about 0.9 eV or else a more screened J of about 0.6-0.7 eV).…”