A solid-phase mechanochemical technology of production of polycrystalline InSе intercalated with Ni up to 1.25 at. % has been developed. The x-ray and phase analyses of the produced NixInSe samples confirm their homogeneity and demonstrate a nonmonotonic Ni-content dependence of the lattice constant along the axis normal to the layers. Analysis of the low-temperature (77 K) impedance response within the frequency region 10–3–106 Hz shows a good correlation between the change in interlayer distance and in the band conductivity observed with increasing Ni concentration. However, the Ni concentration dependence of specific magnetization demonstrates an irregular increase at x ∼ 1 and does not coincide with the former. Such behavior is explained by the proposed theoretical model, which at the same time unveiled the mechanism behind the increasing contribution of free carrier concentration to conductivity – hybridization of electron orbitals of guest nickel and the lattice layers.
The elementary energy bands concept together with the analysis of the Davydov-like splitting were applied for the first time for investigation of energy band structure and spatial electron density distribution in hexagonal crystals. This approach was used for consideration of the valence band states and for determination of peculiarities of the spatial charge density distribution in the unit cell of the layered b-InSe crystal. It was established that the valence charge density can be located in the so-called Van-der-Waals space. Conclusions following from the elementary energy bands concept were confirmed by the ab initio calculations of the band structure of b-InSe.
The theoretical and experimental study of low-temperature heat capacity of InSe intercalated by nickel as a function of temperature has been carried out in range 0.3-30 K. The effect of intercalation by nickel on phonon heat capacity (C ph ) of InSe has been investigated. Two peaks observed in relative change of phonon specific heat (∆C ph /C ph ) suggested non-Debye excess in heat capacity for all intercalated Ni
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