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First-principles studies of spin-orbital physics in pyrochlore oxides

Shinaoka, Hiroshi ; Motome, Yukitoshi ; Miyake, Takashi ; Ishibashi, Shoji ; Werner, Philipp

In: Journal of Physics: Condensed Matter, 2019, vol. 31, no. 32, p. 323001

The pyrochlore oxides A2B2O7 exhibit a complex interplay between geometrical frustration, electronic correlations, and spin–orbit coupling (SOC), due to the lattice structure and active charge, spin, and orbital degrees of freedom. Understanding the properties of these materials is a theoretical challenge, because their intricate nature depends on material-specific details and quantum...