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Title: Magnetism of new metastable cobalt-nitride compounds

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 Co 3N 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 cm 3). This research provides a pathway for uncovering new magnetic compounds with computational efficiency beyond the existing materials database, which is significant for future technologies.

Authors:
 [1]; ORCiD logo [2];  [1]; ORCiD logo [1];  [1];  [3];  [1];  [1];  [1];  [4];  [5];  [6];  [2];  [2]; ORCiD logo [1]
  1. Nebraska Center for Materials and Nanoscience, Lincoln, NE (United States); Univ. of Nebraska, Lincoln, NE (United States). Dept. of Physics and Astronomy
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  3. Nebraska Center for Materials and Nanoscience, Lincoln, NE (United States)
  4. Quantum Condensed Matter Division; Oak Ridge National Lab; Oak Ridge; USA
  5. Nebraska Center for Materials and Nanoscience; University of Nebraska; Lincoln; USA; Department of Physics and Astronomy
  6. Univ. Bayreuth, Bayreuth (Germany). Physikalisches Inst.
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Iowa State Univ., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1543811
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Volume: 10; Journal Issue: 27; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Chemistry; Science & Technology - Other Topics; Materials Science; Physics

Citation Formats

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, and Sellmyer, David J. Magnetism of new metastable cobalt-nitride compounds. United States: N. p., 2018. Web. doi:10.1039/c8nr02105h.
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. Magnetism of new metastable cobalt-nitride compounds. United States. doi:10.1039/c8nr02105h.
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, and Sellmyer, David J. Mon . "Magnetism of new metastable cobalt-nitride compounds". United States. doi:10.1039/c8nr02105h. https://www.osti.gov/servlets/purl/1543811.
@article{osti_1543811,
title = {Magnetism of new metastable cobalt-nitride compounds},
author = {Balasubramanian, Balamurugan and Zhao, Xin and Valloppilly, Shah R. and Beniwal, Sumit and Skomski, Ralph and Sarella, Anandakumar and Jin, Yunlong and Li, Xingzhong and Xu, Xiaoshan and Cao, Huibo and Wang, Haohan and Enders, Axel and Wang, Cai-Zhuang and Ho, Kai-Ming and Sellmyer, David J.},
abstractNote = {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.},
doi = {10.1039/c8nr02105h},
journal = {Nanoscale},
issn = {2040-3364},
number = 27,
volume = 10,
place = {United States},
year = {2018},
month = {1}
}

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Figures / Tables:

Figure S1A Figure S1A: Fabrication of Co3N nanoparticles. A schematic of the cluster-deposition method.

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