Changes in the phonon density of states of Fe induced by external strain

Author:

Meyer Robert,Scherthan Lena,Hochdörffer Tim,Sadashivaiah Sakshath,Wolny Juliusz A.,Klein Matthias W.,Smaga Marek,Beck Tilmann,Schünemann Volker,Urbassek Herbert M.ORCID

Abstract

AbstractNuclear inelastic scattering of synchrotron radiation is used to study the changes induced by external tensile strain on the phonon density of states (pDOS) of polycrystalline Fe samples. The data are interpreted with the help of dedicated atomistic simulations. The longitudinal phonon peak at around 37 meV and also the second transverse peak at 27 meV are decreased under strain. This is caused by the production of defects under strain. Also the thermodynamic properties of the pDOS demonstrate a weakening of the force constants and of the mean phonon energy under strain. Remaining differences between experiment and simulation are discussed.

Funder

Deutsche Forschungsgemeinschaft

Technische Universität Kaiserslautern

Publisher

Springer Science and Business Media LLC

Subject

General Materials Science,General Chemistry

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