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Lattice Dynamics of Graphite
Author(s) -
Mani K. K.,
Ramani R.
Publication year - 1974
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220610232
Subject(s) - axial symmetry , force constant , graphite , lattice constant , neutron scattering , molecular dynamics , tensor (intrinsic definition) , scattering , physics , plane (geometry) , molecule , condensed matter physics , lattice (music) , classical mechanics , chemistry , molecular physics , quantum mechanics , diffraction , geometry , mathematics , organic chemistry , acoustics
The lattice dynamics of graphite have been studied using a tensor force model. Force constant values for interactions between atoms in‐plane have been transferred from the naphthalene molecule. It is shown that the agreement between theory and neutron scattering data is very good, indicating that the molecular constants form a very good approximation to the crystal force constants. Significant differences are, however, found between the present calculations and those of Nicklow et al. using an axially symmetric model, regarding some out‐of‐plane modes. It is assumed that these arise from the restrictions of the axially symmetric model. It is also shown that restoring forces corresponding to twisting motions about CC bonds in the plane are very small.