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Thermally Driven Electronic Topological Transition in FeTi

Yang, F. C. and Muñoz, J. A. and Hellman, O. and Mauger, L. and Lucas, M. S. and Tracy, S. J. and Stone, M. B. and Abernathy, D. L. and Xiao, Yuming and Fultz, B. (2016) Thermally Driven Electronic Topological Transition in FeTi. Physical Review Letters, 117 (7). Art. No. 076402. ISSN 0031-9007. https://resolver.caltech.edu/CaltechAUTHORS:20160808-113911118

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Abstract

Ab initio molecular dynamics, supported by inelastic neutron scattering and nuclear resonant inelastic x-ray scattering, showed an anomalous thermal softening of the M^−_5 phonon mode in B2-ordered FeTi that could not be explained by phonon-phonon interactions or electron-phonon interactions calculated at low temperatures. A computational investigation showed that the Fermi surface undergoes a novel thermally driven electronic topological transition, in which new features of the Fermi surface arise at elevated temperatures. The thermally induced electronic topological transition causes an increased electronic screening for the atom displacements in the M^−_5 phonon mode and an adiabatic electron-phonon interaction with an unusual temperature dependence.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1103/PhysRevLett.117.076402DOIArticle
http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.117.076402PublisherArticle
http://journals.aps.org/prl/supplemental/10.1103/PhysRevLett.117.076402/Yang_FeTi_PRL_Supplemental.pdfPublisherSupplemental Material
ORCID:
AuthorORCID
Hellman, O.0000-0002-3453-2975
Stone, M. B.0000-0001-7884-9715
Abernathy, D. L.0000-0002-3533-003X
Fultz, B.0000-0002-6364-8782
Additional Information:© 2016 American Physical Society. (Received 22 March 2016; published 8 August 2016) This work was supported by the Department of Energy through the Basic Energy Sciences Grant No. DE-FG02-03ER46055. 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. 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, DOE-BES, and NSF. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357. This work benefited from danse software developed under NSF Grant No. DMR-0520547. Supercomputer resources were provided by the Swedish National Infrastructure for Computing (SNIC).
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG02-03ER46055
Department of Energy (DOE)DE-AC02-06CH11357
NSFDMR-0520547
Issue or Number:7
Record Number:CaltechAUTHORS:20160808-113911118
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160808-113911118
Official Citation:Thermally Driven Electronic Topological Transition in FeTi F. C. Yang, J. A. Muñoz, O. Hellman, L. Mauger, M. S. Lucas, S. J. Tracy, M. B. Stone, D. L. Abernathy, Yuming Xiao, and B. Fultz Phys. Rev. Lett. 117, 076402
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:69503
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:09 Aug 2016 14:45
Last Modified:03 Oct 2019 10:22

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