English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio

Glensk, A., Grabowski, B., Hickel, T., Neugebauer, J., Neuhaus, J., Hradil, K., et al. (2019). Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters, 123(23): 235501. doi:10.1103/PhysRevLett.123.235501.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/21.11116/0000-0006-8C79-5 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-9B11-8
Genre: Journal Article

Files

show Files
hide Files
:
Phonon-Lifetimes-throughout-the-Brillouin-Zone-at-Elevated-Temperatures-from-Experiment-and-AbInitio2019Physical-review-letters.pdf (Supplementary material), 512KB
Name:
Phonon-Lifetimes-throughout-the-Brillouin-Zone-at-Elevated-Temperatures-from-Experiment-and-AbInitio2019Physical-review-letters.pdf
Description:
Open Access
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
-
Copyright Info:
-

Locators

show

Creators

show
hide
 Creators:
Glensk, Albert1, 2, Author              
Grabowski, Blazej3, Author              
Hickel, Tilmann1, Author              
Neugebauer, Jörg4, Author              
Neuhaus, Jürgen5, Author              
Hradil, Klaudia6, Author              
Petry, Winfried5, Author              
Leitner, Michael5, Author              
Affiliations:
1Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
2Laboratory for Multiscale Mechanics and Modeling (LAMMM) and Laboratory for Computational Science and Modelling (COSMO), Ecole Polytechnique Federale de Lausanne, Lausanne, 1015, Switzerland, ou_persistent22              
3Institute of Materials Science, University of Stuttgart, Pfaffenwaldring 55, Stuttgart, 70569, Germany, ou_persistent22              
4Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
5Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München, Lichtenbergstr. 1, 85748 Garching, Germany, ou_persistent22              
6Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München, Lichtenbergstr. 1 ,85748 Garching, Germany, ou_persistent22              

Content

show
hide
Free keywords: ab initio calculation; article; phonon
 Abstract: We obtain phonon lifetimes in aluminium by inelastic neutron scattering experiments, by ab initio molecular dynamics, and by perturbation theory. At elevated temperatures significant discrepancies are found between experiment and perturbation theory, which disappear when using molecular dynamics due to the inclusion of full anharmonicity and the correct treatment of the multiphonon background. We show that multiple-site interactions are small and that local pairwise anharmonicity dominates phonon-phonon interactions, which permits an efficient computation of phonon lifetimes.

Details

show
hide
Language(s): eng - English
 Dates: 2019-12-06
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1103/PhysRevLett.123.235501
 Degree: -

Event

show

Legal Case

show

Project information

show hide
Project name : The funding by the Deutsche Forschungsgemeinschaft SPP1713 (Grant No. HI1300/8-1) and by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant Agreement No. 639211) is gratefully acknowledged. A. G. acknowledges support from the SNF Flexibility Grant.
Grant ID : -
Funding program : -
Funding organization : -

Source 1

show
hide
Title: Physical Review Letters
  Abbreviation : Phys. Rev. Lett.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 123 (23) Sequence Number: 235501 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406_1