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Title: 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:
 [1];  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). National Center for Computational Sciences
  2. 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. doi:10.1063/1.3063070.
Eisenbach, Markus, and Stocks, G. Malcolm. Tue . "Invar effect and noncollinear magnetism in FeCu alloys". United States. doi: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 = {2009},
month = {3}
}

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