Theoretical phonon dispersions in monolayers and multilayers of hexagonal boron‐nitride
作者： K. H. Michel , B. Verberck
关键词: Condensed matter physics 、 Ab initio quantum chemistry methods 、 Graphene 、 Dispersion relation 、 Raman spectroscopy 、 Phonon 、 Boron nitride 、 Valence (chemistry) 、 Chemistry 、 Monolayer
摘要: Starting from an empirical force constant model of valence interactions and calculating by Ewald's method the electrostatic constants, we derive dynamical matrix for a monolayer multilayer systems hexagonal boron nitride (h-BN). Solution secular problem leads to corresponding phonon dispersion relations. The interplay between forces Coulomb is discussed. A comparison with previous results on graphene multilayers made. Our spectra h-BN are rather similar ab initio theory results. Comparison also made Raman infrared experimental
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