Invar effect and noncollinear magnetism in FeCu alloys
Abstract
The Invar effect has been observed in many Fe rich alloys, most famously Ni Invar. Generally the Invar behavior is associated with the strong coupling between the lattice and magnetic degrees of freedom, and therefore depends on the magnetic ordering in these alloys. Recent experimental works observed an Invar effect in fcc-FeCu solid solutions. In the present paper the magnetic states of fcc-FeCu solid solutions for various concentrations are investigated. The first principles calculations employ the locally self-consistent multiple scattering real space method for solving the local-density approximation Kohn–Sham equation to investigate the noncollinear ordering of magnetic moments. Here, the magnetic order for the low iron concentration is found to be noncollinear, spin glasslike, and the ferromagnetic order is not stable, whereas for the iron rich alloys for the ground state equilibrium lattice constants a magnetic order with parallel aligned Fe moments is stable. In this configuration the induced moments at the Cu sites order nontrivially on a cone with an opening of approximately 40° around the Fe moment direction.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). National Center for Computational Sciences
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1564653
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 105; Journal Issue: 7; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Physics
Citation Formats
Eisenbach, Markus, and Stocks, G. Malcolm. Invar effect and noncollinear magnetism in FeCu alloys. United States: N. p., 2009.
Web. doi:10.1063/1.3063070.
Eisenbach, Markus, & Stocks, G. Malcolm. Invar effect and noncollinear magnetism in FeCu alloys. United States. https://doi.org/10.1063/1.3063070
Eisenbach, Markus, and Stocks, G. Malcolm. Tue .
"Invar effect and noncollinear magnetism in FeCu alloys". United States. https://doi.org/10.1063/1.3063070. https://www.osti.gov/servlets/purl/1564653.
@article{osti_1564653,
title = {Invar effect and noncollinear magnetism in FeCu alloys},
author = {Eisenbach, Markus and Stocks, G. Malcolm},
abstractNote = {The Invar effect has been observed in many Fe rich alloys, most famously Ni Invar. Generally the Invar behavior is associated with the strong coupling between the lattice and magnetic degrees of freedom, and therefore depends on the magnetic ordering in these alloys. Recent experimental works observed an Invar effect in fcc-FeCu solid solutions. In the present paper the magnetic states of fcc-FeCu solid solutions for various concentrations are investigated. The first principles calculations employ the locally self-consistent multiple scattering real space method for solving the local-density approximation Kohn–Sham equation to investigate the noncollinear ordering of magnetic moments. Here, the magnetic order for the low iron concentration is found to be noncollinear, spin glasslike, and the ferromagnetic order is not stable, whereas for the iron rich alloys for the ground state equilibrium lattice constants a magnetic order with parallel aligned Fe moments is stable. In this configuration the induced moments at the Cu sites order nontrivially on a cone with an opening of approximately 40° around the Fe moment direction.},
doi = {10.1063/1.3063070},
journal = {Journal of Applied Physics},
number = 7,
volume = 105,
place = {United States},
year = {Tue Mar 10 00:00:00 EDT 2009},
month = {Tue Mar 10 00:00:00 EDT 2009}
}
Web of Science
Works referenced in this record:
Constrained density functional theory for first principles spin dynamics
journal, April 1999
- Újfalussy, B.; Wang, Xin-Dong; Nicholson, D. M. C.
- Journal of Applied Physics, Vol. 85, Issue 8
The Massively Parallel O[N] LSMS-Method: Alloy Energies and Non-Collinear Magnetism
journal, January 1995
- Stocks, G. M.; Wang, Yang; Nicholson, D. M. C.
- MRS Proceedings, Vol. 408
Aspects of transition‐metal magnetism
journal, March 1982
- Williams, A. R.; Moruzzi, V. L.; Gelatt, C. D.
- Journal of Applied Physics, Vol. 53, Issue 3
Pressure-induced magnetic phase transitions in Fe-based Invar alloys
journal, December 2005
- Matsushita, Masafumi; Miyoshi, Yoshiharu; Endo, Shoichi
- Physical Review B, Vol. 72, Issue 21
First-principles calculations of the instability leading to the Invar effect
journal, April 1993
- Entel, P.; Hoffmann, E.; Mohn, P.
- Physical Review B, Vol. 47, Issue 14
Order- N Multiple Scattering Approach to Electronic Structure Calculations
journal, October 1995
- Wang, Yang; Stocks, G. M.; Shelton, W. A.
- Physical Review Letters, Vol. 75, Issue 15
Local moment disorder in ferromagnetic alloys
journal, April 1993
- Akai, H.; Dederichs, P. H.
- Physical Review B, Vol. 47, Issue 14
First-principles investigation of ferromagnetism and Invar effect in fcc Fe-Cu alloys
journal, April 2005
- Khmelevskyi, Sergii; Mohn, Peter
- Physical Review B, Vol. 71, Issue 14
Spin fluctuations in γ-Fe and in Pt Invar from local-density-functional calculations
journal, July 1994
- Uhl, M.; Sandratskii, L. M.; Kübler, J.
- Physical Review B, Vol. 50, Issue 1
Origin of the Invar effect in iron–nickel alloys
journal, July 1999
- van Schilfgaarde, Mark; Abrikosov, I. A.; Johansson, B.
- Nature, Vol. 400, Issue 6739
Towards a constrained local moment model for first principles spin dynamics
journal, November 1998
- M. Stocks, B. Ujfalussy, Xindong Wa, G.
- Philosophical Magazine B, Vol. 78, Issue 5-6
Elastic diffuse scattering of neutrons in FeNi Invar alloys
journal, September 2008
- Tsunoda, Y.; Hao, L.; Shimomura, S.
- Physical Review B, Vol. 78, Issue 9
Explanation of the Invar Anomalies from Molecular-Orbital Cluster Calculations
journal, July 1981
- Kaspar, J.; Salahub, D. R.
- Physical Review Letters, Vol. 47, Issue 1
Invar effect in fcc- solid solutions
journal, June 2004
- Gorria, Pedro; Martínez-Blanco, David; Blanco, Jesús A.
- Physical Review B, Vol. 69, Issue 21
The Origin of the `Invar' Effect
journal, August 1963
- Weiss, R. J.
- Proceedings of the Physical Society, Vol. 82, Issue 2
Noncollinear magnetic structure in Ni0.35Fe0.65
journal, April 1997
- Wang, Yang; Stocks, G. M.; Nicholson, D. M. C.
- Journal of Applied Physics, Vol. 81, Issue 8
Magnetic state, magnetovolume effects, and atomic order in Invar alloy: A first principles study
journal, July 2007
- Ruban, Andrei V.; Khmelevskyi, Sergii; Mohn, Peter
- Physical Review B, Vol. 76, Issue 1
On calculating the magnetic state of nanostructures
journal, February 2007
- Stocks, G.; Eisenbach, M.; Ujfalussy, B.
- Progress in Materials Science, Vol. 52, Issue 2-3
Origin of magnetic frustrations in Invar alloys
journal, February 2005
- Ruban, A. V.; Katsnelson, M. I.; Olovsson, W.
- Physical Review B, Vol. 71, Issue 5
Magnetic anisotropy of monoatomic iron chains embedded in copper
journal, March 2002
- Eisenbach, Markus; Györffy, Balazs L.; Stocks, G. Malcolm
- Physical Review B, Vol. 65, Issue 14