Large-amplitude periodic atomic vibrations in diamond

George Chechin; Denis Ryabov; Stepan Shcherbinin

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arXiv · 1811.06260

Large-amplitude periodic atomic vibrations in diamond

George Chechin·Denis Ryabov·Stepan Shcherbinin

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Abstract

Symmetry-determined nonlinear normal modes, which describe large-amplitude vibrations of diamond lattice, are studied by specific group-theoretical methods. For two of these modes, corresponding to vibrational state with and without multiplication of the unit cell, we present their atomic patterns and dynamical properties obtained with the aid of the ab initio simulations based on the density functional theory.

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George Chechin, Denis Ryabov, Stepan Shcherbinin. 2018-11-15. Large-amplitude periodic atomic vibrations in diamond. https://arxiv.org/abs/1811.06260

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