Thermally Driven Electronic Topological Transition in FeTi

Yang, F. C.; Muñoz, J. A.; Hellman, O.; Mauger, L.; Lucas, M. S.; Tracy, S. J.; Stone, M. B.; Abernathy, D. L.; Xiao, Yuming; Fultz, B.

doi:10.1103/PhysRevLett.117.076402

Title: Thermally Driven Electronic Topological Transition in FeTi

Journal Article · Mon Aug 08 00:00:00 EDT 2016 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.117.076402· OSTI ID:1302899

Yang, F. C. ^[1]; Muñoz, J. A. ^[2]; Hellman, O. ^[1]; Mauger, L. ^[1]; Lucas, M. S. ^[3]; Tracy, S. J. ^[1]; Stone, M. B. ^[4]; Abernathy, D. L. ^[4]; Xiao, Yuming ^[5]; Fultz, B. ^[1]

California Inst. of Technology (CalTech), Pasadena, CA (United States). Applied Physics and Materials Science Dept.
California Inst. of Technology (CalTech), Pasadena, CA (United States). Applied Physics and Materials Science Dept.; The Datum Inst., Beaverton, OR (United States)
California Inst. of Technology (CalTech), Pasadena, CA (United States). Applied Physics and Materials Science Dept.; Air Force Research Lab. (AFRL), Wright-Patterson AFB, OH (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab., High Pressure Collaborative Access Team (HPCAT)

In this paper, ab initio molecular dynamics, supported by inelastic neutron scattering and nuclear resonant inelastic x-ray scattering, showed an anomalous thermal softening of the M₅^- 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. Finally, the thermally induced electronic topological transition causes an increased electronic screening for the atom displacements in the M₅^- phonon mode and an adiabatic electron-phonon interaction with an unusual temperature dependence.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); California Institute of Technology (CalTech), Pasadena, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: FG02-03ER46055; AC02-06CH11357

OSTI ID:: 1302899

Alternate ID(s):: OSTI ID: 1286302

Journal Information:: Physical Review Letters, Vol. 117, Issue 7; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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