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SM ISO690:2012 COCEMASOV, Alexandr. Force constant matrices from keating interatomic potential: application to graphene. In: Studia Universitatis Moldaviae (Seria Ştiinţe Exacte şi Economice), 2014, nr. 2(72), pp. 78-83. ISSN 1857-2073. |
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Studia Universitatis Moldaviae (Seria Ştiinţe Exacte şi Economice) | ||||||
Numărul 2(72) / 2014 / ISSN 1857-2073 /ISSNe 2345-1033 | ||||||
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Pag. 78-83 | ||||||
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Based on the Keating interatomic potential an analytical derivation of force constant matrices of two- and threebody
interactions in crystals is performed. Using the derived force constant matrices the in-plane phonon energy spectra
of graphene was calculated in the framework of a lattice dynamics theory. A reasonable agreement with experimental
data was obtained. The results can extend the applicability of the current force constant models for investigation of crystal dynamics.
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Cuvinte-cheie force constant matrices, Keating potential, crystal dynamics., graphene, phonons |
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