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arXiv · 1702.02389

Temperature-dependent phonon spectra of magnetic random solid solutions

Yuji Ikeda·Fritz Körmann·Biswanath Dutta·Abel Carreras·Atsuto Seko·Jörg Neugebauer·Isao Tanaka
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Abstract

A first-principles-based method for computing phonons of magnetic random solid solutions including thermal magnetic fluctuations is developed. The method takes fluctuations of force constants (FCs) due to magnetic excitations as well as due to chemical disorder into account. The developed approach correctly predicts the experimentally observed unusual phonon hardening of a transverse acoustic mode in Fe-Pd an Fe-Pt Invar alloys with increasing temperature. This peculiar behavior, which cannot be explained within a conventional, harmonic picture, turns out to be a consequence of thermal magnetic fluctuations.

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Yuji Ikeda, Fritz Körmann, Biswanath Dutta, Abel Carreras, Atsuto Seko, Jörg Neugebauer, Isao Tanaka. 2017-02-08. Temperature-dependent phonon spectra of magnetic random solid solutions. https://doi.org/10.1038/s41524-018-0063-1

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