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Current issue   Ukr. J. Phys. 2015, Vol. 59, N 8, p.797-804
doi:10.15407/ujpe59.08.0797    Paper

Marushko I.O.

Institute of Physics, Nat. Acad. of Sci. of Ukraine
(46, Prosp. Nauky, Kyiv 03028, Ukraine))

To the Theory of Force Constants for Multiatomic Systems in the Tight-Binding Model (Part II)

Section: Solid matter
Original Author's Text: Ukrainian

Abstract: An approximate expression for the Coulomb interaction energy in solids has been obtained in the framework of the tight-binding model. The condition of adiabatic approximation and the procedure of quantum statistical averaging for the first (static) term in the expansion of the average potential energy in small nuclear shifts are analyzed, which allowed the electron contribution to the thermal expansion of solids to be calculated. An equation of state for a solid is obtained in the harmonic approximation by analyzing the internal energy and the thermal properties of the solid. A relationship between the specific heats Cυ and Cp, which agrees with the Grüneisen law, is found.

Key words: theory of force constants, Coulomb interaction energy, energy of a multiatomic system, Grüneisen law.