Electron spectrum of intercalated stage ordered layered structures: Periodic Anderson model approach

Influence of intercalation on the electronic band structure of the layered nanohybrid compound of the GaSe-type with a stage ordering (three layers in the packet in the considered case) is studied in the modified version of the periodic Anderson model. Density of electron states for the intercalated system is calculated both in the impurity single-level approximation and the one with the level smearing out (of the Lorentzian-type) due to local electron correlations. Intercalated particles form an additional band (usually placed near the bottom of the main band) like the narrow impurity band (being far enough from the main band) or the more extended band hybridized with the main one (for the case of overlapping). The most pronounced transformation of the main band takes place in the vicinity of the impurity level. Changes in the total density of electron states due to the broadening of impurity levels and the increase of the intercalant concentration are analyzed.

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Math. Model. Comput. Vol. 2, No. 2, pp. 191-203 (2015)