Abstract
Knowledge of lattice dynamics of acoustic flexural phonons is critically important in understanding the mechanical, electrical, and thermal properties of nanomaterials. However, the general nature of acoustic flexural phonons for the span of possible nanomaterials and the dependence of these on microscopic material properties remain unclear. Therefore, we develop general lattice chain theories to understand acoustic flexural vibrations in covalent and van der Waals lattices. The analytic theories suggest that the flexure branch has quadratic dispersion for low dimensional lattices in the long-wavelength limit, quite different from linear branches in bulk van der Waals bonded lattices like graphite. Surprisingly, interlayer van der Waals interactions in multilayer lattices do not determine the behavior of the flexural dispersion. The bonds of covalent interactions in multilayer and buckled monolayer lattices play different roles in determining the flexural dispersion with those in flat monolayer lattices, e.g., graphene. Further, based on the correspondence between microscopic and continuum dynamics, we provide a universal and effective approach to characterize the intrinsic bending rigidity of low dimensional nanomaterials using dispersion data.
Original language | English |
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Article number | 144301 |
Journal | Physical Review B |
Volume | 102 |
Issue number | 14 |
DOIs | |
State | Published - Oct 2020 |
Funding
Y.K. acknowledges support from the Tianhe-II supercomputing center in China. L.L. acknowledges support from the U. S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division for idea development and manuscript construction. We also thank Prof. H. Gao in Nanyang Technological University for helpful discussions and suggestions on the present models and theories.