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)

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