Partial phonon densities of states of Fe57 in Fe-Cr: Analysis by a local-order cluster expansion

Matthew S. Lucas, A. Papandrew, B. Fultz, and Michael Y. Hu
Phys. Rev. B 75, 054307 – Published 28 February 2007

Abstract

Nuclear resonant inelastic x-ray scattering spectra were measured for Fe57 in disordered body-centered-cubic alloys of Fe-Cr. Partial phonon density of states (DOS) curves were obtained from these data. These results, in conjunction with the results of Ruckert et al. [Hyperfine Interact. 126, 363 (2000)] on Fe-Cr thin-film multilayers and alloys, were analyzed with a local-order cluster expansion method. Interaction partial phonon DOS functions for the different short-range correlation functions were obtained from the disordered alloys. These interaction DOS functions were used in reconstructing the Fe57 partial DOS curves measured by Ruckert et al. on a set of thin-film multilayer samples of Fe57Fe56Cr. The method worked well using terms up to a combined first- and second-nearest-neighbor triangle cluster, which were obtained reliably from the disordered alloys. The limitations of a basis set of correlation functions from disordered alloys are discussed but shown to be acceptable for the chemical trends of phonons in the Fe-Cr system.

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  • Received 4 November 2006

DOI:https://doi.org/10.1103/PhysRevB.75.054307

©2007 American Physical Society

Authors & Affiliations

Matthew S. Lucas, A. Papandrew, and B. Fultz

  • W. M. Keck Laboratory, California Institute of Technology, Mail 138-78, Pasadena, California 91125, USA

Michael Y. Hu

  • HPCAT, Geophysical Laboratory, Carnegie Institution of Washington, Building 434E, 9700 South Cass Avenue, Argonne, Illinois 60439, USA

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Issue

Vol. 75, Iss. 5 — 1 February 2007

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