Publication Date
7-21-2018
Department
Ames Laboratory; Physics and Astronomy
Campus Units
Physics and Astronomy, Ames Laboratory
OSTI ID+
1543811
Report Number
IS-J 9721
DOI
10.1039/C8NR02105H
Journal Title
Nanoscale
Volume Number
10
Issue Number
27
First Page
13011
Last Page
13021
Abstract
The search for new magnetic materials with high magnetization and magnetocrystalline anisotropy is important for a wide range of applications including information and energy processing. There is only a limited number of naturally occurring magnetic compounds that are suitable. This situation stimulates an exploration of new phases that occur far from thermal-equilibrium conditions, but their stabilization is generally inhibited due to high positive formation energies. Here a nanocluster-deposition method has enabled the discovery of a set of new non-equilibrium Co–N intermetallic compounds. The experimental search was assisted by computational methods including adaptive-genetic-algorithm and electronic-structure calculations. Conventional wisdom is that the interstitial or substitutional solubility of N in Co is much lower than that in Fe and that N in Co in equilibrium alloys does not produce materials with significant magnetization and anisotropy. By contrast, our experiments identify new Co–N compounds with favorable magnetic properties including hexagonal Co3N nanoparticles with a high saturation magnetic polarization (Js = 1.28 T or 12.8 kG) and an appreciable uniaxial magnetocrystalline anisotropy (K1 = 1.01 MJ m−3 or 10.1 Mergs per cm3). This research provides a pathway for uncovering new magnetic compounds with computational efficiency beyond the existing materials database, which is significant for future technologies.
DOE Contract Number(s)
AC02-07CH11358
Language
en
Department of Energy Subject Categories
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Publisher
Iowa State University Digital Repository, Ames IA (United States)
