Invar effect and noncollinear magnetism in FeCu alloys

Eisenbach, Markus; Stocks, G. Malcolm

doi:10.1063/1.3063070

Invar effect and noncollinear magnetism in FeCu alloys

Journal Article · Tue Mar 10 00:00:00 EDT 2009 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3063070· OSTI ID:1564653

Eisenbach, Markus ^[1]; Stocks, G. Malcolm ^[2]

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.

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.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1564653

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 7 Vol. 105; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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