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Phys. Rev. Lett. 75, 3142 - 3145 (1995)

Site Occupation Reversal in the Fe-Crσ Phase

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Marcel H. F. Sluiter, Keivan Esfarjani, and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Sendai 980, Japan

Received 28 June 1995

The site occupation in the Fe-Cr σ phase is computed as a function of temperature and composition. The calculations suggest that the preferential occupancy of a given type of site can be reversed by a change in temperature or composition. This phenomenon has not been reported previously but may in fact be visible in previously published experimental work.


©1995 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.75.3142
DOI: 10.1103/PhysRevLett.75.3142
PACS: 61.66.Dk, 65.50.+m, 71.20.Cf, 82.60.Lf

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