Electronic structure and weak itinerant magnetism in metallic
Abstract
We describe a density functional study of the electronic structure and magnetism of Y₂Ni₇. The results show itinerant magnetism very similar to that in the weak itinerant ferromagnet Ni₃Al. The electropositive Y atoms in Y₂Ni₇ donate charge to the Ni host mostly in the form of s electrons. The non-spin-polarized state shows a high density of states at the Fermi level, N (EF), due to flat bands. This leads to a ferromagnetic instability. However, there are also several much more dispersive bands crossing E(F), which should promote the conductivity. Spin fluctuation effects appear to be comparable to or weaker than Ni₃Al, based on comparison with experimental data. Y₂Ni₇ provides a uniaxial analog to cubic Ni₃Al, for studying weak itinerant ferromagnetism, suggesting detailed measurements of its low temperature physical properties and spin fluctuations, as well as experiments under pressure.
- Authors:
-
- Univ. of Missouri, Columbia, MO (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1239755
- Alternate Identifier(s):
- OSTI ID: 1225120
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 92; Journal Issue: 17; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
Citation Formats
Singh, David J. Electronic structure and weak itinerant magnetism in metallic Y2Ni7. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.92.174403.
Singh, David J. Electronic structure and weak itinerant magnetism in metallic Y2Ni7. United States. https://doi.org/10.1103/PhysRevB.92.174403
Singh, David J. Tue .
"Electronic structure and weak itinerant magnetism in metallic Y2Ni7". United States. https://doi.org/10.1103/PhysRevB.92.174403. https://www.osti.gov/servlets/purl/1239755.
@article{osti_1239755,
title = {Electronic structure and weak itinerant magnetism in metallic Y2Ni7},
author = {Singh, David J.},
abstractNote = {We describe a density functional study of the electronic structure and magnetism of Y₂Ni₇. The results show itinerant magnetism very similar to that in the weak itinerant ferromagnet Ni₃Al. The electropositive Y atoms in Y₂Ni₇ donate charge to the Ni host mostly in the form of s electrons. The non-spin-polarized state shows a high density of states at the Fermi level, N (EF), due to flat bands. This leads to a ferromagnetic instability. However, there are also several much more dispersive bands crossing E(F), which should promote the conductivity. Spin fluctuation effects appear to be comparable to or weaker than Ni₃Al, based on comparison with experimental data. Y₂Ni₇ provides a uniaxial analog to cubic Ni₃Al, for studying weak itinerant ferromagnetism, suggesting detailed measurements of its low temperature physical properties and spin fluctuations, as well as experiments under pressure.},
doi = {10.1103/PhysRevB.92.174403},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 17,
volume = 92,
place = {United States},
year = {Tue Nov 03 00:00:00 EST 2015},
month = {Tue Nov 03 00:00:00 EST 2015}
}
Web of Science
Works referenced in this record:
“Thermal spontaneous magnetization” in Y2Ni7: A misinterpretation
journal, February 1990
- Ballou, R.; Gorges, B.; Molho, P.
- Journal of Magnetism and Magnetic Materials, Vol. 84, Issue 1-2
Electronic structure and magnetism of Y-M (M=Mn, Fe, Co and Ni) compounds
journal, March 1988
- Inoue, J.
- Physica B+C, Vol. 149, Issue 1-3
Short‐range order and stability in Gd‐Ni and Y‐Ni systems
journal, November 1987
- Colinet, C.; Pasturel, A.; Buschow, K. H. J.
- Journal of Applied Physics, Vol. 62, Issue 9
Nesting, Spin Fluctuations, and Odd-Gap Superconductivity in
journal, August 2004
- Johannes, M. D.; Mazin, I. I.; Singh, D. J.
- Physical Review Letters, Vol. 93, Issue 9
Using density functional theory to describe slowly varying fluctuations at finite temperatures: local magnetic moments in Gd and the ‘not so local’ moments of Ni
journal, June 2014
- Staunton, Julie B.; Marmodoro, Alberto; Ernst, Arthur
- Journal of Physics: Condensed Matter, Vol. 26, Issue 27
Electronic structure of the strongly-exchange-enhanced paramagnet Ga
journal, April 1986
- Hayden, S. M.; Lonzarich, G. G.; Skriver, H. L.
- Physical Review B, Vol. 33, Issue 7
Pressure dependence of the Curie temperature of some Ni3Al compounds
journal, March 1976
- Buis, N.; Franse, J. J. M.; Van Haarst, J.
- Physics Letters A, Vol. 56, Issue 2
Itinerant Electron Ferromagnetism in Y 2 Ni 7 and Mössbauer Effect of 57 Fe Doped in Y 2 Ni 7
journal, January 1991
- Nishihara, Yoshikazu; Ogawa, Shinji
- Journal of the Physical Society of Japan, Vol. 60, Issue 1
Effect on the magnetic properties of small substitutions of iron and copper for nickel in YNi3 and Y2Ni7 intermetallics
journal, October 1997
- Levitin, R. Z.; Markosyan, A. S.; Petropavlovskii, A. B.
- Physics of the Solid State, Vol. 39, Issue 10
Magnetism in Fe-based superconductors
journal, April 2010
- Lumsden, M. D.; Christianson, A. D.
- Journal of Physics: Condensed Matter, Vol. 22, Issue 20
Dispersive Magnetic Density Fluctuations in Ga
journal, February 1989
- Bernhoeft, N. R.; Hayden, S. M.; Lonzarich, G. G.
- Physical Review Letters, Vol. 62, Issue 6
Itinerant electron magnetism
journal, April 1981
- Shimizu, M.
- Reports on Progress in Physics, Vol. 44, Issue 4
Exchange‐Enhanced Paramagnetism and Weak Ferromagnetism in the Ni 3 Al and Ni 3 Ga Phases; Giant Moment Inducement in Fe‐Doped Ni 3 Ga
journal, March 1969
- de Boer, F. R.; Schinkel, C. J.; Biesterbos, J.
- Journal of Applied Physics, Vol. 40, Issue 3
Developments of the theory of spin fluctuations and spin fluctuation-induced superconductivity
journal, January 2006
- Moriya, Tôru
- Proceedings of the Japan Academy, Series B, Vol. 82, Issue 1
Small angle neutron scattering in Ni 3 Al
journal, November 1982
- Bernhoeft, N. R.; Cole, I.; Lonzarich, G. G.
- Journal of Applied Physics, Vol. 53, Issue 11
Magnetic properties of Y2Ni7 and its hydride
journal, February 1984
- Buschow, K. H. J.
- Journal of the Less Common Metals, Vol. 97
Magnetic properties of Ni 3 Al and Ni 3 Ga: emergent states and the possible importance of a tri-critical point
journal, February 2009
- Smith, R. P.
- Journal of Physics: Condensed Matter, Vol. 21, Issue 9
Magnetically mediated superconductivity in heavy fermion compounds
journal, July 1998
- Mathur, N. D.; Grosche, F. M.; Julian, S. R.
- Nature, Vol. 394, Issue 6688
Magnetic ground state properties of transition metals
journal, January 1977
- Andersen, O. K.; Madsen, J.; Poulsen, U. K.
- Physica B+C, Vol. 86-88
The crystal structure of rare-earth nickel compounds of the type R2Ni7
journal, December 1970
- Buschow, K. H. J.; Van Der Goot, A. S.
- Journal of the Less Common Metals, Vol. 22, Issue 4
Spin Fluctuations in Itinerant Electron Magnetism
book, January 1985
- Moriya, Tôru
- Springer Series in Solid-State Sciences
The long-wavelength spin fluctuation spectrum of Ni3Ga
journal, May 1990
- Winter, H.; Szotek, Z.; Temmerman, W. M.
- Solid State Communications, Vol. 74, Issue 7
Exchange interactions and spin-wave stiffness in ferromagnetic metals
journal, July 1984
- Liechtenstein, A. I.; Katsnelson, M. I.; Gubanov, V. A.
- Journal of Physics F: Metal Physics, Vol. 14, Issue 7
Crystal structures of AB3 and A2B7 rare earth-nickel phases
journal, May 1969
- Virkar, A. V.; Raman, A.
- Journal of the Less Common Metals, Vol. 18, Issue 1
The puzzle of high temperature superconductivity in layered iron pnictides and chalcogenides
journal, October 2010
- Johnston, David C.
- Advances in Physics, Vol. 59, Issue 6
Band model for magnetism of transition metals in the spin-density-functional formalism
journal, April 1976
- Gunnarsson, O.
- Journal of Physics F: Metal Physics, Vol. 6, Issue 4
Problems with reconciling density functional theory calculations with experiment in ferropnictides
journal, August 2008
- Mazin, I. I.; Johannes, M. D.; Boeri, L.
- Physical Review B, Vol. 78, Issue 8
Evidence for Strong Itinerant Spin Fluctuations in the Normal State of Iron-Oxypnictide Superconductors
journal, December 2008
- Bondino, F.; Magnano, E.; Malvestuto, M.
- Physical Review Letters, Vol. 101, Issue 26
-wave pairing near a spin-density-wave instability
journal, December 1986
- Scalapino, D. J.; Loh, E.; Hirsch, J. E.
- Physical Review B, Vol. 34, Issue 11
Unconventional Superconductivity with a Sign Reversal in the Order Parameter of
journal, July 2008
- Mazin, I. I.; Singh, D. J.; Johannes, M. D.
- Physical Review Letters, Vol. 101, Issue 5
Unconventional Pairing Originating from the Disconnected Fermi Surfaces of Superconducting
journal, August 2008
- Kuroki, Kazuhiko; Onari, Seiichiro; Arita, Ryotaro
- Physical Review Letters, Vol. 101, Issue 8
A common thread: The pairing interaction for unconventional superconductors
journal, October 2012
- Scalapino, D. J.
- Reviews of Modern Physics, Vol. 84, Issue 4
Spin-fluctuation-dominated electrical transport of at high pressure
journal, July 2005
- Niklowitz, P. G.; Beckers, F.; Lonzarich, G. G.
- Physical Review B, Vol. 72, Issue 2
Why Is an Itinerant Ferromagnet but Is Not
journal, April 2004
- Aguayo, A.; Mazin, I.; Singh, D.
- Physical Review Letters, Vol. 92, Issue 14
Investigation of weak itinerant ferromagnetism and critical behavior of Y Ni
journal, November 2011
- Bhattacharyya, A.; Jain, Deepti; Ganesan, V.
- Physical Review B, Vol. 84, Issue 18
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Magnetism, critical fluctuations, and susceptibility renormalization in Pd
journal, February 2004
- Larson, P.; Mazin, I. I.; Singh, D. J.
- Physical Review B, Vol. 69, Issue 6
Uniform susceptibilities of metallic elements
journal, July 1977
- Janak, J. F.
- Physical Review B, Vol. 16, Issue 1
Metamagnetic behavior of fcc iron
journal, December 1987
- Krasko, Genrich L.
- Physical Review B, Vol. 36, Issue 16
Low-temperature ferromagnetism in (Ga, Mn)N: Ab initio calculations
journal, November 2004
- Sato, K.; Schweika, W.; Dederichs, P. H.
- Physical Review B, Vol. 70, Issue 20
High Temperature Magnetic Ordering in the Perovskite
journal, February 2011
- Rodriguez, Efrain E.; Poineau, Frédéric; Llobet, Anna
- Physical Review Letters, Vol. 106, Issue 6
Continuous metal-insulator transition of the antiferromagnetic perovskite
journal, October 2009
- Shi, Y. G.; Guo, Y. F.; Yu, S.
- Physical Review B, Vol. 80, Issue 16
Electronic structure and the origin of the high ordering temperature in
journal, June 2015
- Singh, David J.
- Physical Review B, Vol. 91, Issue 21
Itinerant Electron Magnetism
journal, August 1984
- Moriya, T.; Takahashi, Y.
- Annual Review of Materials Science, Vol. 14, Issue 1
Itinerant electron magnetism
journal, February 1983
- Moriya, Tôru
- Journal of Magnetism and Magnetic Materials, Vol. 31-34
Magnetism, Critical Fluctuations and Susceptibility Renormalization in Pd
text, January 2003
- Larson, P.; Mazin, I. I.; Singh, D. J.
- arXiv
Why Ni$_3$Al is an itinerant ferromagnet but Ni$_3$Ga is not
text, January 2003
- Aguayo, A.; Mazin, I. I.; Singh, D. J.
- arXiv
Works referencing / citing this record:
Interplay of local moment and itinerant magnetism in cobalt-based Heusler ferromagnets: and
journal, January 2020
- Qin, Guanhua; Ren, Wei; Singh, David J.
- Physical Review B, Vol. 101, Issue 1
Relation between the weak itinerant magnetism in $A_2$Ni$_7$ compounds ($A$ = Y, La) and their stacked crystal structures
text, January 2019
- Crivello, Jean-Claude; Paul-Boncour, Valérie
- arXiv