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arXiv · 1603.03242

Magnetic States, Correlation Effects and Metal-Insulator Transition in FCC Lattice

M. A. Timirgazin·P. A. Igoshev·A. K. Arzhnikov·V. Yu. Irkhin
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Abstract

The ground-state magnetic phase diagram (including collinear and spiral states) of the single-band Hubbard model for the face-centered cubic lattice and related metal-insulator transition (MIT) are investigated within the slave-boson approach by Kotliar and Ruckenstein. The correlation induced electronic spectrum narrowing and a comparison with a generalized Hartree-Fock approximation allow one to estimate the strength of correlation effects. This, as well as the MIT scenario, depends dramatically on the ratio of the next-nearest and nearest electron hopping integrals $t'/t$. In contrast with metallic state, possessing strong band narrowing, insulator one is only weakly correlated. The magnetic (Slater) scenario of MIT is found to be superior over the Mott one. Unlike simple and body-centered cubic lattices, MIT is the first order transition for most $t'/t$. The insulator state is type-II or type-III antiferromagnet, and the metallic state is spin-spiral, collinear antiferromagnet or paramagnet depending on $t'/t$. The picture of magnetic ordering is compared with that in the standard localized-electron (Heisenberg) model.

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M. A. Timirgazin, P. A. Igoshev, A. K. Arzhnikov, V. Yu. Irkhin. 2016-03-10. Magnetic States, Correlation Effects and Metal-Insulator Transition in FCC Lattice. https://doi.org/10.1088/0953-8984%2F28%2F50%2F505601

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