Abstract
Experimentally it is found that the Fe-Co and Fe-Ni alloys undergo a structural transformation from the bcc structure to the hcp or fcc structures, respectively, with increasing number of valence electrons, while the Fe-Cu alloy is unstable at most concentrations. In addition to this some of the alloy phases show a partial ordering of the constituting atoms. One may wonder if this structural behaviour can be simply understood from a filling of essentially common bands or if the alloying implies a modification of the electronic structure and as a consequence also the structural stability. In this paper we try to answer this question and reproduce the observed structural behaviour by means of accurate alloy theory and total energy calculations.
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© 1997 Springer Science+Business Media New York
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James, P., Abrikosov, I.A., Eriksson, O., Johansson, B. (1997). Structural Stability in Fe-Based Alloys. In: Gonis, A., Meike, A., Turchi, P.E.A. (eds) Properties of Complex Inorganic Solids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-5943-6_8
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DOI: https://doi.org/10.1007/978-1-4615-5943-6_8
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