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UDC 538.9

© E. V. Solodovnik, 2011

DETERMINATION OF PARAMETERS OF POWER FIELD LATTICE Hg2Hal2

A new group of Hg2Hal2 (Hal = Cl, Br, I) crystals has unique physical properties due to their chain structure. This structure is dictated by the feature of interatomic interactions, whose nature is not fully elucidated. Dynamic properties of lattice vibrations are described on the basis of the force constant matrix in the framework of the valence force field. The determination of the force constants values is one problem of the modeling of the crystal lattice dynamics. In this paper we pre-sent a set of force constants which were obtained with the valence force field for Hg2Hal2 crystals. Also, justification of the results obtained has been done.

Keywords: univalent mercurous halides, lattice dynamics, numerical modeling, Valence Force Field model, force constants.

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