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Effect of density of states peculiarities on Hund's metal behavior
Physical Review B ( IF 3.2 ) Pub Date : 2018-03-21 00:00:00 , DOI: 10.1103/physrevb.97.115141
A. S. Belozerov , A. A. Katanin , V. I. Anisimov

We investigate a possibility of Hund's metal behavior in the Hubbard model with asymmetric density of states having peak(s). Specifically, we consider the degenerate two-band model and compare its results to the five-band model with realistic density of states of iron and nickel, showing that the obtained results are more general, provided that the hybridization between states of different symmetry is sufficiently small. We find that quasiparticle damping and the formation of local magnetic moments due to Hund's exchange interaction are enhanced by both the density of states asymmetry, which yields stronger correlated electron or hole excitations, and the larger density of states at the Fermi level, increasing the number of virtual electron-hole excitations. For realistic densities of states, these two factors are often interrelated because the Fermi level is attracted towards peaks of the density of states. We discuss the implication of the obtained results to various substances and compounds, such as transition metals, iron pnictides, and cuprates.

中文翻译:

状态奇特性密度对洪德金属行为的影响

我们研究了在具有峰值的状态的非对称密度的Hubbard模型中Hund的金属行为的可能性。具体来说,我们考虑了简并的两波段模型,并将其结果与具有实际铁和镍态密度的五波段模型进行比较,表明只要不同对称状态之间的杂交足够充分,则获得的结果将更为通用。小的。我们发现,由于不对称态的密度(产生更强的相关电子或空穴激发)以及费米能级的更大的态密度,都增加了由于洪德交换相互作用导致的准粒子阻尼和局部磁矩的形成。虚拟电子空穴激发。对于现实的国家密度,这两个因素通常是相互关联的,因为费米能级被吸引到状态密度的峰值。我们讨论了获得的结果对各种物质和化合物的影响,例如过渡金属,铁离子和铜酸盐。
更新日期:2018-03-21
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