Are there stable long-range ordered Fe(1-x)Cr(x) compounds?
Paul Erhart, Babak Sadigh, and Alfredo Caro
TL;DR
This paper investigates the phase stability of Fe-Cr alloys, discovering long-range ordered structures at low Cr concentrations that suggest stable intermetallic phases and influence the phase diagram.
Contribution
The study identifies new long-range ordered Fe-Cr structures at low Cr concentrations, revealing stable phases not previously known.
Findings
Discovery of ordered structures at 3.7% Cr
Long-range attractive interactions between Cr atoms
Implication of stable intermetallic phases at low Cr
Abstract
The heat of formation of Fe-Cr alloys undergoes an anomalous change of sign at small Cr concentrations. This observation raises the question whether there are intermetallic phases present in this composition range. Here we report the discovery of several long-range ordered structures that represent ground state phases at zero Kelvin. In particular we have identified a structure at 3.7% Cr with an embedding energy which is 49 meV/Cr atom below the solid solution. This implies there is an effective long-range attractive interaction between Cr atoms. We propose that the structures found in this study complete the low temperature-low Cr region of the phase diagram.
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