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Charge-spin-orbital fluctuations in mixed valence spinels: Comparative study of ${\mathrm{AlV}}_{2}{\mathrm{O}}_{4}$ and ${\mathrm{LiV}}_{2}{\mathrm{O}}_{4}$

Uehara, Amane ; Shinaoka, Hiroshi ; Motome, Yukitoshi

In: Physical Review B, 2015, vol. 92, no. 19, p. 195150

Mixed valence spinels provide a fertile playground for the interplay between charge, spin, and orbital degrees of freedom in strongly correlated electrons on a geometrically frustrated lattice. Among them, AlV2O4 and LiV2O4 exhibit contrasting and puzzling behavior: self-organization of seven-site clusters and heavy fermion behavior. We theoretically perform a comparative study of...

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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...

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