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Application of moment interaction to the construction of a stable model of graphite crystal lattice
Authors:I E Berinskii  E A Ivanova  A M Krivtsov  N F Morozov
Institution:(1) Institute of Problems of Mechanical Engineering, Russian Academy of Sciences, Bol’shoy pr-t 61, St. Petersburg, 199178, Russia;(2) Saint-Petersburg State Polytechnical University, Polytekhnicheskaya 29, St. Petersburg, 195251, Russia
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.
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