Origin of magnetic anisotropy in doped Ce2Co17 alloys

Ke, Liqin; Kukusta, D. A.; Johnson, Duane D.

doi:10.1103/PhysRevB.94.144429

Origin of magnetic anisotropy in doped ${Ce}_{2} {Co}_{17}$ alloys

Journal Article · Fri Oct 21 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.144429· OSTI ID:1335024

Ke, Liqin ^[1]; Kukusta, D. A. ^[2]; Johnson, Duane D. ^[3]

Ames Lab., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Institute for Metal Physics, Kiev (Ukraine)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

Magnetocrystalline anisotropy (MCA) in doped Ce₂Co₁₇ and other competing structures was investigated using density functional theory. We confirmed that the MCA contribution from dumbbell Co sites is very negative. Replacing Co dumbbell atoms with a pair of Fe or Mn atoms greatly enhance the uniaxial anisotropy, which agrees quantitatively with experiment, and this enhancement arises from electronic-structure features near the Fermi level, mostly associated with dumbbell sites. With Co dumbbell atoms replaced by other elements, the variation of anisotropy is generally a collective effect and contributions from other sublattices may change significantly. Furthermore, we found that Zr doping promotes the formation of 1-5 structure that exhibits a large uniaxial anisotropy, such that Zr is the most effective element to enhance MCA in this system.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1335024

Alternate ID(s):: OSTI ID: 1329499

Report Number(s):: IS-J--9129

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 14 Vol. 94; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (32)

Mössbauer effect study of Tm2Fe17−xCox and Tm2Fe17−xNix compounds Gubbens, P. C. M.; Buschow, K. H. J. Physica Status Solidi (a), Vol. 34, Issue 2 https://doi.org/10.1002/pssa.2210340238	journal	April 1976
Influence of substitutional pairs of cobalt atoms on the magnetocrystalline anisotropy of cobalt-rich rare-earth compounds Deportes, J.; Givord, D.; Lemaire, R. Journal of the Less Common Metals, Vol. 44 https://doi.org/10.1016/0022-5088(76)90142-9	journal	January 1976
Deviations from statistical site occupancy in substituted RE2Co17 Perkins, R. S.; Fischer, P. Solid State Communications, Vol. 20, Issue 10 https://doi.org/10.1016/0038-1098(76)90495-6	journal	December 1976
Effect of substitution of Zr on the magnetic properties of R2Co17 (R = Ce and Sm) Fujii, H.; Satyanarayana, M. V.; Wallace, W. E. Solid State Communications, Vol. 41, Issue 6 https://doi.org/10.1016/0038-1098(82)90521-X	journal	February 1982
Magnetic properties of Nd2Co17−xAlx compounds studied by magnetic measurements and neutron diffraction de Groot, C. H.; de Boer, F. R.; Buschow, K. H. J. Journal of Alloys and Compounds, Vol. 233, Issue 1-2 https://doi.org/10.1016/0925-8388(95)02047-0	journal	January 1996
Co metamagnetism and magnetic anisotropy in single-crystalline Ce(Co1 − xNix)5 Bartashevich, M. I.; Goto, T.; Korolyov, A. V. Journal of Magnetism and Magnetic Materials, Vol. 163, Issue 1-2 https://doi.org/10.1016/S0304-8853(96)00311-3	journal	October 1996
Structure and magnetic properties of Ce2Co17−xSix compounds Wei, X. Z.; Hu, S. J.; Zeng, D. C. Physica B: Condensed Matter, Vol. 262, Issue 3-4 https://doi.org/10.1016/S0921-4526(98)00852-7	journal	April 1999
Magnetic and structural properties of Ce2Fe17−xMnx compounds Kuchin, A. G.; Pirogov, A. N.; Khrabrov, V. I. Journal of Alloys and Compounds, Vol. 313, Issue 1-2 https://doi.org/10.1016/S0925-8388(00)01039-2	journal	December 2000
Magnetic and crystallographic properties of Ce2Co17−xGax compounds Wei, X. Z.; Hu, S. J.; Zeng, D. C. Journal of Alloys and Compounds, Vol. 279, Issue 2 https://doi.org/10.1016/S0925-8388(98)00691-4	journal	October 1998
Structure and magnetic properties of Ce2Co17−Al compounds Hu, S. J.; Wei, X. Z.; Zeng, D. C. Journal of Alloys and Compounds, Vol. 283, Issue 1-2 https://doi.org/10.1016/S0925-8388(98)00905-0	journal	February 1999
Constituents of magnetic anisotropy and a screening of spin–orbit coupling in solids Antropov, Vladimir; Ke, Liqin; Åberg, Daniel Solid State Communications, Vol. 194 https://doi.org/10.1016/j.ssc.2014.06.003	journal	September 2014
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets Chen, Ruyi; Cui, Qirui; Liao, Liyang Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23414-3	journal	May 2021
Magnetic Characteristics of Some Binary and Ternary 2–17 Compounds Schaller, H. J.; Craig, R. S.; Wallace, W. E. Journal of Applied Physics, Vol. 43, Issue 7 https://doi.org/10.1063/1.1661679	journal	July 1972
Magnetic and crystallographic properties of substituted Ce ₂ Co _17−x T _x compounds (T = Ti, V, Cr, Mn, Fe, Cu, Zr, and Hf) Fujii, H.; Satyanarayana, M. V.; Wallace, W. E. Journal of Applied Physics, Vol. 53, Issue 3 https://doi.org/10.1063/1.330861	journal	March 1982
Magnetic properties of R2Co15Al2 compounds with R=Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, and Tm Shen, Bao-gen; Cheng, Zhao-hua; Zhang, Shao-ying Journal of Applied Physics, Vol. 85, Issue 5 https://doi.org/10.1063/1.369595	journal	March 1999
A technique for relativistic spin-polarised calculations Koelling, D. D.; Harmon, B. N. Journal of Physics C: Solid State Physics, Vol. 10, Issue 16 https://doi.org/10.1088/0022-3719/10/16/019	journal	August 1977
Intermetallic compounds of rare-earth and 3d transition metals Buschow, K. H. J. Reports on Progress in Physics, Vol. 40, Issue 10 https://doi.org/10.1088/0034-4885/40/10/002	journal	October 1977
The effect of manganese substitution on the magnetic properties of Ce ₂ Co ₁₇ compounds Sun, Zhi-gang; Zhang, Shao-ying; Zhang, Hong-wei Journal of Physics: Condensed Matter, Vol. 12, Issue 11 https://doi.org/10.1088/0953-8984/12/11/315	journal	March 2000
Individual Co site contributions to the magnetic anisotropy of R Co 5 compounds and related structures Streever, R. L. Physical Review B, Vol. 19, Issue 5 https://doi.org/10.1103/PhysRevB.19.2704	journal	March 1979
Individual Co site contributions to the magnetic anisotropy and NMR investigation of Y 2 ( Co 1 − x M x ) 17 ( M = C u , A l ) Inomata, K. Physical Review B, Vol. 23, Issue 5 https://doi.org/10.1103/PhysRevB.23.2076	journal	March 1981
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Magnetic anisotropy of a free-standing Co monolayer and of multilayers which contain Co monolayers Daalderop, G. H. O.; Kelly, P. J.; Schuurmans, M. F. H. Physical Review B, Vol. 50, Issue 14 https://doi.org/10.1103/PhysRevB.50.9989	journal	October 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Relativistic spin-polarized theory of magnetoelastic coupling and magnetic anisotropy strain dependence: Application to Co/Cu(001) Shick, A. B.; Novikov, D. L.; Freeman, A. J. Physical Review B, Vol. 56, Issue 22 https://doi.org/10.1103/PhysRevB.56.R14259	journal	December 1997
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Effect of lattice relaxation on magnetic anisotropy: Zr -doped Sm 2 Co 17 Larson, P.; Mazin, I. I. Physical Review B, Vol. 69, Issue 1 https://doi.org/10.1103/PhysRevB.69.012404	journal	January 2004
Band-filling effect on magnetic anisotropy using a Green's function method Ke, Liqin; van Schilfgaarde, Mark Physical Review B, Vol. 92, Issue 1 https://doi.org/10.1103/PhysRevB.92.014423	journal	July 2015
Intrinsic magnetic properties in R ( Fe 1 − x Co x ) 11 Ti Z ( R = Y and Ce ; Z = H , C , and N ) Ke, Liqin; Johnson, Duane D. Physical Review B, Vol. 94, Issue 2 https://doi.org/10.1103/PhysRevB.94.024423	journal	July 2016
Magnetocrystalline Anisotropy of Nonstoichiometric Y _{2+ x} Co _{17-2 x} Yajima, Seishi; Hamano, Masaaki; Umebayashi, Hiromichi Journal of the Physical Society of Japan, Vol. 32, Issue 3 https://doi.org/10.1143/JPSJ.32.861	journal	March 1972
Practical Aspects of Modern and Future Permanent Magnets McCallum, R. W.; Lewis, L.; Skomski, R. Annual Review of Materials Research, Vol. 44, Issue 1 https://doi.org/10.1146/annurev-matsci-070813-113457	journal	July 2014
Band-filling effect on magnetic anisotropy using a Green's function method Ke, Liqin; van Schilfgaarde, Mark arXiv https://doi.org/10.48550/arxiv.1503.00063	text	January 2015
Intrinsic magnetic properties of {$R$(Fe$_{1-x}$Co$_{x}$)$_{11}$Ti$Z$} ($R$ = Y and Ce; $Z$ = H, C, and N) Ke, Liqin; Johnson, Duane D. arXiv https://doi.org/10.48550/arxiv.1610.00365	text	January 2016

Cited By (1)

Borderline Magnetism: How Adding Mg to Paramagnetic Ce Co 3 Makes a 450-K Ferromagnet with Large Magnetic Anisotropy Pandey, Tribhuwan; Parker, David S. Physical Review Applied, Vol. 10, Issue 3 https://doi.org/10.1103/physrevapplied.10.034038	journal	September 2018

Similar Records

Tunable dimensional crossover and magnetocrystalline anisotropy in

{Fe}_{2} P

-based alloys

Journal Article · Sat Sep 30 20:00:00 EDT 2017 · Physical Review Materials · OSTI ID:1415797

Magnetic anisotropy in single-crystal high-entropy perovskite oxide

La (C r_{0.2} M n_{0.2} F e_{0.2} C o_{0.2} N i_{0.2}) O_{3}

films

Journal Article · Sun Jan 12 19:00:00 EST 2020 · Physical Review Materials · OSTI ID:1606929

Ferroelectric polarization control of magnetic anisotropy in

PbZ r_{0.2} T i_{0.8} O_{3}

L a_{0.8} S r_{0.2} Mn O_{3}

heterostructures

Journal Article · Thu Feb 07 19:00:00 EST 2019 · Physical Review Materials · OSTI ID:1596913

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS