Application of moment interaction to the construction of a stable model of graphite crystal lattice

I. E. Berinskii, E. A. Ivanova, A. M. Krivtsov, N. F. Morozov

Research output: Contribution to journalArticlepeer-review

Abstract

The aim of the present paper is to construct and study a model of pair moment interaction between carbon atoms in the two-dimensional graphite lattice. The carbon atom is modeled by a structure consisting of three rigidly connected mass points located at the vertices of an equilateral triangle. The interaction between mass points is described by a pair force potential, but the total interatomic interaction contains moment components owing to the finite size of the structure modeling the atom. We compute rank 4 tensors characterizing the elastic properties of the graphite crystal lattice constructed on the basis of our model. We determine lattice stability criteria depending on the number of coordination spheres taken into account. We show that this model permits one to ensure stability of the graphite lattice but significantly underestimates the transverse-to-longitudinal interatomic coupling rigidity ratio. We construct a generalized moment potential that permits one to obtain a rigidity ratio consistent with experimental data.
Original languageAmerican English
Pages (from-to)663-671
Number of pages9
JournalMechanics of Solids
Volume42
Issue number5
DOIs
StatePublished - 2007

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