DOI: https://doi.org/10.30970/jps.02.70
CHARGE DISTRIBUTION AND CHEMICAL BOND IN LAYERED INDIUM IODIDE SINGLE CRYSTALS
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Journal of Physical Studies 2(1), 70–75 (1998)
DOI: https://doi.org/10.30970/jps.02.70 CHARGE DISTRIBUTION AND CHEMICAL BOND IN LAYERED INDIUM IODIDE SINGLE CRYSTALS |
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M. I. Kolinko
Ivan Franko Lviv State University, Chair of Experimental Physics
8a Kyrylo i Mefodii Str., Lviv, UA-290005, Ukraine
Using the valence zone electron charge density data calculated with the wave functions of pseudopotential Hamiltonian, the chemical bond features are studied for the layered indium iodide single crystal. A mixed ionic–covalent type of the chemical bond is revealed and justified by the analysis performed on the basis of the concept of differential deformation density and the density Laplacian. The localization of the additional charge between the cations of adjacent layers is related to coupling interaction.