Nano Science and Technology Institute
Nanotech 2002 Vol. 2
Nanotech 2002 Vol. 2
Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Chapter 16: Materials and Nanostructures Studies

Analysis of Phonon Dispersion Relations from Atom Model to Continuum Theory

Authors:Y. Chen and J.D. Lee
Affilation:The George Washington University, US
Pages:451 - 454
Keywords:phonon dispersion relation, microcontinuum theory, atomic model, lattice dynamics
Abstract:The phonon dispersion relations calculated by atomic model: shell model and ab initio, and by microcontinuum theory are introduced in this paper. It is found that both atomic models and microcontinuum theory can describe the common feature of phonon dispersion relation for the crystal having more than one atom per primitive cell and can give a good fit to the experimentally measured data. The optical branches are absent from the classical continuum theory and the strain gradient theory due to the neglecting of the atomic structure of the crystal. The importance of phonon dispersion relation and the applicability of microcontinuum theory are discussed.
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