Prediction of the new efficient permanent magnet SmCoNiFe3

Soderlind, P.; Landa, A.; Locht, I. L. M.; Aberg, D.; Kvashnin, Y.; Pereiro, M.; Dane, M.; Turchi, P. E. A.; Antropov, V. P.; Eriksson, O.

doi:10.1103/PhysRevB.96.100404

Title: Prediction of the new efficient permanent magnet ${SmCoNiFe}_{3}$

Abstract

Here, we propose a new efficient permanent magnet, SmCoNiFe₃, which is a development of the well-known SmCo₅ prototype. More modern neodymium magnets of the Nd-Fe-B type have an advantage over SmCo₅ because of their greater maximum energy products due to their iron-rich stoichiometry. Our new magnet, however, removes most of this disadvantage of SmCo₅ while preserving its superior high-temperature efficiency over the neodymium magnets. We show by means of first-principles electronic-structure calculations that SmCoNiFe₃ has very favorable magnetic properties and could therefore potentially replace SmCo₅ or Nd-Fe-B types in various applications.

Authors:

Soderlind, P. ^[1]; Landa, A. ^[1]; Locht, I. L. M. ^[2]; Aberg, D. ^[1]; Kvashnin, Y. ^[2]; Pereiro, M. ^[2]; Dane, M. ^[1]; Turchi, P. E. A. ^[1]; Antropov, V. P. ^[3]; Eriksson, O. ^[2]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Uppsala Univ., Uppsala (Sweden)
Ames Lab., Ames, IA (United States)

Publication Date:: Thu Sep 14 00:00:00 EDT 2017

Research Org.:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

OSTI Identifier:: 1415550

Alternate Identifier(s):: OSTI ID: 1390377

Report Number(s):: LLNL-JRNL-717280
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US1800834

Grant/Contract Number:: AC52-07NA27344

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 96; Journal Issue: 10; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats


                    Soderlind, P., Landa, A., Locht, I. L. M., Aberg, D., Kvashnin, Y., Pereiro, M., Dane, M., Turchi, P. E. A., Antropov, V. P., and Eriksson, O. Prediction of the new efficient permanent magnet SmCoNiFe3.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevB.96.100404.

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                    Soderlind, P., Landa, A., Locht, I. L. M., Aberg, D., Kvashnin, Y., Pereiro, M., Dane, M., Turchi, P. E. A., Antropov, V. P., & Eriksson, O. Prediction of the new efficient permanent magnet SmCoNiFe3.  United States.  https://doi.org/10.1103/PhysRevB.96.100404

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                    Soderlind, P., Landa, A., Locht, I. L. M., Aberg, D., Kvashnin, Y., Pereiro, M., Dane, M., Turchi, P. E. A., Antropov, V. P., and Eriksson, O. Thu .  
"Prediction of the new efficient permanent magnet SmCoNiFe3".  United States.  https://doi.org/10.1103/PhysRevB.96.100404.  https://www.osti.gov/servlets/purl/1415550.

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@article{osti_1415550,

  title        = {Prediction of the new efficient permanent magnet SmCoNiFe3},

  author       = {Soderlind, P. and Landa, A. and Locht, I. L. M. and Aberg, D. and Kvashnin, Y. and Pereiro, M. and Dane, M. and Turchi, P. E. A. and Antropov, V. P. and Eriksson, O.},

  abstractNote = {Here, we propose a new efficient permanent magnet, SmCoNiFe3, which is a development of the well-known SmCo5 prototype. More modern neodymium magnets of the Nd-Fe-B type have an advantage over SmCo5 because of their greater maximum energy products due to their iron-rich stoichiometry. Our new magnet, however, removes most of this disadvantage of SmCo5 while preserving its superior high-temperature efficiency over the neodymium magnets. We show by means of first-principles electronic-structure calculations that SmCoNiFe3 has very favorable magnetic properties and could therefore potentially replace SmCo5 or Nd-Fe-B types in various applications.},

  doi          = {10.1103/PhysRevB.96.100404},

  journal      = {Physical Review B},

  number       = 10,

  volume       = 96,

  place        = {United States},

  year         = {Thu Sep 14 00:00:00 EDT 2017},

  month        = {Thu Sep 14 00:00:00 EDT 2017}

}

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Structural, Electronic, and Magnetic Properties of Hard Magnetic SmNi2Fe Compound: a DFT Study
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Title: Prediction of the new efficient permanent magnet SmCoNiFe 3

Abstract

Citation Formats

Measurements of the elastic stiffness constants of single‐crystal SmCo 5 and of liquid‐phase sintered SmCo 5 permanent magnet material journal, June 1977

Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications journal, April 2012

Individual Co site contributions to the magnetic anisotropy of R Co 5 compounds and related structures journal, March 1979

Itinerant-electron magnetocrystalline anisotropy energy of YCo 5 and related compounds journal, April 2001

Hard Magnetic Materials: A Perspective journal, December 2011

A method for atomistic spin dynamics simulations: implementation and examples journal, July 2008

Standard enthalpies of formation for some samarium alloys, Sm + Me (Me = Ni, Rh, Pd, Pt), determined by high-temperature direct synthesis calorimetry journal, August 1998

Magnetic moments and exchange interaction in Sm(Co,Fe)5 from first-principles journal, January 2011

Temperature dependence of the samarium magnetic form factor in SmCo 5 journal, March 1979

Total Energy Calculation of the Magnetocrystalline Anisotropy Energy in the Ferromagnetic 3 d Metals journal, October 1995

The magnetocrystalline anisotropy of cobalt journal, October 1984

Full-Potential Electronic Structure Method book, January 2010

Rare‐Earth‐Compound Permanent Magnets journal, March 1970

Enthalpies of formation of SmCo alloys in the composition range 10–22 at. % Sm journal, January 1987

Calculation of magnetic anisotropy energy in SmCo 5 journal, June 2003

Standard model of the rare earths analyzed from the Hubbard I approximation journal, August 2016

X-Ray Photoemission Studies of Rare Earth Hard Magnets conference, January 1974

Magnetic properties of R ions in R Co 5 compounds ( R =Pr, Nd, Sm, Gd, Tb, Dy, Ho, and Er) journal, April 1991

Effects of doping on the magnetic anisotropy energy in SmCo 5 − x Fe x and YCo 5 − x Fe x journal, April 2004

Orbital magnetism in Fe, Co, and Ni journal, August 1990

Intermetallic compounds of rare-earth and 3d transition metals journal, October 1977

Spin and orbital magnetism in Fe-Co and Co-Ni alloys journal, June 1992

Transition element–rare earth compounds with Cu 5 Ca structure journal, September 1959

High-temperature magnetic properties of mechanically alloyed SmCo 5 and YCo 5 magnets journal, July 2001

Neutron diffraction study of the Th(Co<inf>1-x</inf>Fe<inf>x</inf>)<inf>5</inf>alloys journal, September 1973

Magnetic Moments in SmCo5 and SmCo5−x Cu x Films journal, April 2012

Magneto-elastic lattice collapse in YCo5 journal, July 2006

Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni journal, July 2007

Cohesive properties of the lanthanides: Effect of generalized gradient corrections and crystal structure journal, August 1998

Crystal structure and elastic-constant anomalies in the magnetic 3 d transition metals journal, September 1994

Ground-state properties of rare-earth metals: an evaluation of density-functional theory journal, September 2014

Optimization by Simulated Annealing journal, May 1983

The isothermal section phase diagram of the Sm-Fe-Ni ternary system at 800 °C journal, March 2016

Magnetism and magnetic materials: by J.M.D. Coey, Cambridge, Cambridge University Press, 2018, 617 pp., £59.99 (paperback), ISBN 9781108717519. Scope: review. Level: advanced undergraduate, postgraduate, early career researcher, researcher. journal, October 2019

Magnetism and Magnetic Materials journal, October 1959

Standard model of the rare-earths, analyzed from the Hubbard I approximation text, January 2015

Structural, Electronic, and Magnetic Properties of Hard Magnetic SmNi2Fe Compound: a DFT Study journal, June 2019

Anisotropy and orbital moment in Sm-Co permanent magnets journal, July 2019

Exchange Interactions and Curie Temperature of Ce-Substituted SmCo5 journal, January 2019

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Title: Prediction of the new efficient permanent magnet ${SmCoNiFe}_{3}$

Measurements of the elastic stiffness constants of single‐crystal SmCo ₅ and of liquid‐phase sintered SmCo ₅ permanent magnet material
journal, June 1977

Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications
journal, April 2012

Individual Co site contributions to the magnetic anisotropy of $R {Co}_{5}$ compounds and related structures
journal, March 1979

Itinerant-electron magnetocrystalline anisotropy energy of ${YCo}_{5}$ and related compounds
journal, April 2001

Hard Magnetic Materials: A Perspective
journal, December 2011

A method for atomistic spin dynamics simulations: implementation and examples
journal, July 2008

Standard enthalpies of formation for some samarium alloys, Sm + Me (Me = Ni, Rh, Pd, Pt), determined by high-temperature direct synthesis calorimetry
journal, August 1998

Magnetic moments and exchange interaction in Sm(Co,Fe)5 from first-principles
journal, January 2011

Temperature dependence of the samarium magnetic form factor in SmCo ₅
journal, March 1979

Total Energy Calculation of the Magnetocrystalline Anisotropy Energy in the Ferromagnetic $3 d$ Metals
journal, October 1995

The magnetocrystalline anisotropy of cobalt
journal, October 1984

Full-Potential Electronic Structure Method
book, January 2010

Rare‐Earth‐Compound Permanent Magnets
journal, March 1970

Enthalpies of formation of SmCo alloys in the composition range 10–22 at. % Sm
journal, January 1987

Calculation of magnetic anisotropy energy in ${SmCo}_{5}$
journal, June 2003

Standard model of the rare earths analyzed from the Hubbard I approximation
journal, August 2016

X-Ray Photoemission Studies of Rare Earth Hard Magnets
conference, January 1974

Magnetic properties of R ions in R ${Co}_{5}$ compounds ( R =Pr, Nd, Sm, Gd, Tb, Dy, Ho, and Er)
journal, April 1991

Effects of doping on the magnetic anisotropy energy in ${SmCo}_{5 - x} {Fe}_{x}$ and ${YCo}_{5 - x} {Fe}_{x}$
journal, April 2004

Orbital magnetism in Fe, Co, and Ni
journal, August 1990

Intermetallic compounds of rare-earth and 3d transition metals
journal, October 1977

Spin and orbital magnetism in Fe-Co and Co-Ni alloys
journal, June 1992

Transition element–rare earth compounds with Cu ₅ Ca structure
journal, September 1959

High-temperature magnetic properties of mechanically alloyed SmCo ₅ and YCo ₅ magnets
journal, July 2001

Neutron diffraction study of the Th(Co<inf>1-x</inf>Fe<inf>x</inf>)<inf>5</inf>alloys
journal, September 1973

Magnetic Moments in SmCo5 and SmCo5−x Cu x Films
journal, April 2012

Magneto-elastic lattice collapse in YCo5
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Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni
journal, July 2007

Cohesive properties of the lanthanides: Effect of generalized gradient corrections and crystal structure
journal, August 1998

Crystal structure and elastic-constant anomalies in the magnetic 3 d transition metals
journal, September 1994

Ground-state properties of rare-earth metals: an evaluation of density-functional theory
journal, September 2014

Optimization by Simulated Annealing
journal, May 1983

The isothermal section phase diagram of the Sm-Fe-Ni ternary system at 800 °C
journal, March 2016

Magnetism and magnetic materials: by J.M.D. Coey, Cambridge, Cambridge University Press, 2018, 617 pp., £59.99 (paperback), ISBN 9781108717519. Scope: review. Level: advanced undergraduate, postgraduate, early career researcher, researcher.
journal, October 2019

Magnetism and Magnetic Materials
journal, October 1959

Standard model of the rare-earths, analyzed from the Hubbard I approximation
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Structural, Electronic, and Magnetic Properties of Hard Magnetic SmNi2Fe Compound: a DFT Study
journal, June 2019

Anisotropy and orbital moment in Sm-Co permanent magnets
journal, July 2019

Exchange Interactions and Curie Temperature of Ce-Substituted SmCo5
journal, January 2019

Exchange interactions and Curie temperature of Ce-substituted SmCo5
preprint, January 2018