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Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment

Körmann, F. and Grabowski, B. and Dutta, B. and Hickel, T. and Mauger, L. and Fultz, B. and Neugebauer, J. (2014) Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment. Physical Review Letters, 113 (16). Art. No. 165503. ISSN 0031-9007. https://resolver.caltech.edu/CaltechAUTHORS:20141204-112837164

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Abstract

An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results for bcc Fe are in very good agreement with high-quality phonon frequency measurements. For some phonon branches, the magnon-phonon interaction is an order of magnitude larger than the phonon shift due to lattice expansion, demonstrating the strong impact of magnetic short-range order even significantly above the Curie temperature. The framework closes the previous simulation gap between the ferro- and paramagnetic limits.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1103/PhysRevLett.113.165503DOIArticle
http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.165503PublisherArticle
ORCID:
AuthorORCID
Fultz, B.0000-0002-6364-8782
Additional Information:© 2014 American Physical Society. Published 14 October 2014; received 18 May 2014. Funding by the Deutsche Forschungsgemeinschaft (DFG) within the collaborative research center SFB 761 “Stahl—ab initio” and within the priority program SPP 1599, and by the European Research Council under the EU’s 7th Framework Programme (No. FP7/2007-2013)/ERC Grant Agreement No. 290998 is gratefully acknowledged. L. M. and B. F. acknowledge support of DOENNSA Award No. DE-NA0001974 and DOE-BES Award No. DE-FG02-99ER45775.
Funders:
Funding AgencyGrant Number
Deutsche Forschungsgemeinschaft (DFG)SFB 761
Deutsche Forschungsgemeinschaft (DFG)SPP 1599
European Research Council 7th Framework Programme (FP7/2007-2013)290998
Department of Energy (DOE)DE-NA0001974
Department of Energy (DOE)DE-FG02-99ER45775
Issue or Number:16
Classification Code:PACS: 63.20.K-, 63.20.dd, 63.20.dk, 75.50.Bb
Record Number:CaltechAUTHORS:20141204-112837164
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20141204-112837164
Official Citation:Körmann, F., Grabowski, B., Dutta, B., Hickel, T., Mauger, L., Fultz, B., & Neugebauer, J. (2014). Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment. Physical Review Letters, 113(16), 165503.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:52391
Collection:CaltechAUTHORS
Deposited By: Jason Perez
Deposited On:04 Dec 2014 22:08
Last Modified:03 Oct 2019 07:42

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