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Magnetically induced phonon splitting in ACr(2)O(4) spinels from first principles

TitleMagnetically induced phonon splitting in ACr(2)O(4) spinels from first principles
Publication TypeJournal Article
Year of Publication2016
AuthorsWysocki, AL, Birol, T
JournalPhysical Review B
Date Published04
Type of ArticleArticle
ISBN Number2469-9950
Accession NumberWOS:000374529600003
Keywordselectrons, insulators, order, physics

We study the magnetically-induced phonon splitting in cubic ACr(2)O(4) (A = Mg, Zn, Cd) spinels from first principles and demonstrate that the sign of the splitting, which is experimentally observed to be opposite in CdCr2O4 compared to ZnCr2O4 and MgCr2O4, is determined solely by the particular magnetic ordering pattern observed in these compounds. We further show that this interaction between magnetism and phonon frequencies can be fully described by the previously proposed spin-phonon coupling model [C. J. Fennie and K. M. Rabe, Phys. Rev. Lett. 96, 205505 (2006)] that includes only the nearest neighbor exchange. Using this model with materials specific parameters calculated from first principles, we provide additional insights into the physics of spin-phonon coupling in this intriguing family of compounds.

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Exploratory Theory

Alternate JournalPhys. Rev. B