Magnetism of new metastable cobalt-nitride compounds

Authors

Balamuruga Balamurugan, University of Nebraska-LincolnFollow
Xin Zhao, US Department of Energy
Shah R. Valloppilly, University of Nebraska - LincolnFollow
Sumit Beniwal, University of Nebraska - Lincoln
Ralph Skomski, University of Nebraska-LincolnFollow
Anandakumar Sarella, University of Nebraska - LincolnFollow
Yunlong Jin, University of Nebraska - Lincoln
Xingzhong Li, University of Nebraska - LincolnFollow
Xiaoshan Xu, University of Nebraska-LincolnFollow
Huibo Cao, Oak Ridge National Laboratory
Haohan Wang, University of Nebraska - LincolnFollow
Axel Enders, Universität Bayreuth
Cai-Zhuang Wang, US Department of Energy
Kai-Ming Ho, US Department of Energy
David J. Sellmyer, University of Nebraska - LincolnFollow

Date of this Version

2018

Citation

NR-ART-03-2018-002105.R1

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 (J_s = 1.28 T or 12.8 kG) and an appreciable uniaxial magnetocrystalline anisotropy (K₁ = 1.01 MJ/m³ or 10.1 Mergs/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.