First-principles study of exchange interactions of yttrium iron garnet

Li Shan Xie, Guang Xi Jin, Lixin He, Gerrit E.W. Bauer, Joseph Barker, Ke Xia

Research output: Contribution to journalArticleScientificpeer-review

48 Citations (Scopus)
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Yttrium iron garnet is the ubiquitous magnetic insulator used for studying pure spin currents. The exchange constants reported in the literature vary considerably between different experiments and fitting procedures. Here we calculate them from first principles. The local Coulomb correction (U-J) of density-functional theory is chosen such that the parametrized spin model reproduces the experimental Curie temperature and a large electronic band gap, ensuring an insulating phase. The magnon spectrum calculated with our parameters agrees reasonably well with that measured by neutron scattering. A residual disagreement about the frequencies of optical modes indicates the limits of the present methodology.

Original languageEnglish
Article number014423
Number of pages7
JournalPhysical Review B (Condensed Matter and Materials Physics)
Issue number1
Publication statusPublished - 19 Jan 2017


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