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The static lattice Green's function of gamma -Fe and FeTi

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Published under licence by IOP Publishing Ltd
, , Citation W Frank et al 1994 J. Phys.: Condens. Matter 6 7673 DOI 10.1088/0953-8984/6/38/007

0953-8984/6/38/7673

Abstract

The computational scheme of MacGillivray and Sholl (1983) for the calculation of the lattice Green's function is extended to crystalline compounds with more than one atom in the unit cell. The lattice Green's function is calculated for the high-temperature gamma -phase of Fe and for the intermetallic compound FeTi using force constants obtained from Born-von Karman fits to experimental lattice vibration spectra.

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10.1088/0953-8984/6/38/007