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Effects of composition, temperature, and magnetism on phonons in bcc Fe-V alloys

Lucas, M. S. and Muñoz, J. A. and Delaire, O. and Markovskiy, N. D. and Stone, M. B. and Abernathy, D. L. and Halevy, I. and Mauger, L. and Keith, J. B. and Winterrose, M. L. and Xiao, Yuming and Lerche, M. and Fultz, B. (2010) Effects of composition, temperature, and magnetism on phonons in bcc Fe-V alloys. Physical Review B, 82 (14). Art. No. 144306 . ISSN 0163-1829. https://resolver.caltech.edu/CaltechAUTHORS:20101110-092304852

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Abstract

The phonon densities of states of body-centered-cubic Fe-V alloys across the full composition range were studied by inelastic neutron scattering, nuclear resonant inelastic x-ray scattering, and ab initio calculations. The average phonon energy followed the inverse of the electronic heat capacity and the inverse of the electronic density of states at the Fermi level, showing how the interatomic forces depend on electronic screening. These quantities, including phonon energy, changed rapidly near the composition of the paramagnetic-ferromagnetic transition. For Fe- and V-rich alloys, the thermal phonon softening deviated from quasiharmonic behavior but better agreement was found for intermediate compositions. The Fe partial phonon density of states has a distinctly different shape than V for alloys with less than 50 at. % Fe.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1103/PhysRevB.82.144306 DOIArticle
http://prb.aps.org/abstract/PRB/v82/i14/e144306PublisherArticle
ORCID:
AuthorORCID
Stone, M. B.0000-0001-7884-9715
Abernathy, D. L.0000-0002-3533-003X
Fultz, B.0000-0002-6364-8782
Additional Information:© 2010 The American Physical Society. Received 20 August 2010; published 22 October 2010. The portions of this work conducted at Oak Ridge National Laboratory were supported by the Scientific User Facilities Division and by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, DOE. This work was supported by the Department of Energy through the Basic Energy Sciences under Grant No. DEFG02- 03ER46055 and BES-MS under Grant No. W-31-109- ENG-38. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT is supported by CIW, CDAC, UNLV, and LLNL through funding from DOE-NNSA, DOEBES, and NSF. Use of the APS was supported by DOE-BES under Contract No. DE-AC02-06CH11357. This work benefited from DANSE software developed under NSF under Grant No. DMR-0520547.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG02-03ER46055
Department of Energy (DOE)W-31-109-ENG-38
National Nuclear Security AdministrationUNSPECIFIED
Department of Energy (DOE)DE-AC02-06CH11357
NSFDMR-0520547
Issue or Number:14
Classification Code:PACS: 63.20.dd, 63.20.kd, 71.20.Be, 75.50.Bb
Record Number:CaltechAUTHORS:20101110-092304852
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20101110-092304852
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:20738
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:18 Nov 2010 22:09
Last Modified:03 Oct 2019 02:14

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