Calculation of dispersion relations and frequency distribution of crystalline benzene
- 1 February 1973
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 58 (3) , 979-984
- https://doi.org/10.1063/1.1679354
Abstract
The dispersion relations for crystalline benzene at 138°K have been calculated using semiempirical atom‐atom potential functions, for many relevant directions of the k vector in the Brillouin zone. The importance of mixing between lattice and low‐lying internal vibrations is investigated. The semiempirical atom‐atom potential functions have been employed for calculating the density of state according to the interpolation method of Gilat and Raubenheimer [Phys. Rev. 144, 390 (1966)].Keywords
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