Magnetism of new metastable cobalt-nitride compounds

Balasubramanian, Balamurugan; Zhao, Xin; Valloppilly, Shah R.; Beniwal, Sumit; Skomski, Ralph; Sarella, Anandakumar; Jin, Yunlong; Li, Xingzhong; Xu, Xiaoshan; Cao, Huibo; Wang, Haohan; Enders, Axel; Wang, Cai-Zhuang; Ho, Kai-Ming; Sellmyer, David J.

doi:10.1039/c8nr02105h

Title: Magnetism of new metastable cobalt-nitride compounds

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Nanoscale

DOI:https://doi.org/10.1039/c8nr02105h· OSTI ID:1543811

Balasubramanian, Balamurugan ^[1];

^[2]; Valloppilly, Shah R. ^[1];

^[1]; Skomski, Ralph ^[1]; Sarella, Anandakumar ^[3]; Jin, Yunlong ^[1]; Li, Xingzhong ^[1]; Xu, Xiaoshan ^[1]; Cao, Huibo ^[4]; Wang, Haohan ^[5]; Enders, Axel ^[6]; Wang, Cai-Zhuang ^[2]; Ho, Kai-Ming ^[2];

^[1]

Nebraska Center for Materials and Nanoscience, Lincoln, NE (United States); Univ. of Nebraska, Lincoln, NE (United States). Dept. of Physics and Astronomy
Ames Lab. and Iowa State Univ., Ames, IA (United States)
Nebraska Center for Materials and Nanoscience, Lincoln, NE (United States)
Quantum Condensed Matter Division; Oak Ridge National Lab; Oak Ridge; USA
Nebraska Center for Materials and Nanoscience; University of Nebraska; Lincoln; USA; Department of Physics and Astronomy
Univ. Bayreuth, Bayreuth (Germany). Physikalisches Inst.

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 ($$K_1$$ = 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.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Iowa State Univ., Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1543811

Journal Information:: Nanoscale, Vol. 10, Issue 27; ISSN 2040-3364

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 21 works

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