By B. Dorner
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Kohn anomalies in Cd. (a) Experimental phonon dispersion curve ( f u l l c i r c l e s ) and group v e l o c i t y dm/dq (open c i r c l e s ) for the T3-T~ branch at 77 K. At q = 0 the group velocity'obtained from the e l a s t i c constants (GARLAND and SILVERMAN, 1960) is represented by a f u l l c i r c l e . The l i n e is a guide to the eye. (b) Theoret i c a l predictions of the group v e l o c i t y for the T3-T~ branch. The f u l l l i n e is calculated in perturbation theory including second-order terms in the potential (46), the broken l i n e including third-order terms in the potential.
K 1OOK 200K 300K J I I I t 1 2 3 4 5 In V(-'~E~~(102 v(o) Fig. 21. 4 THz l i b r a t i o n in naphthalene with increasing volume. The experimental points ~ are obtained at normal pressure with increasing temperature (indicated on the abscissa). The dashed and dotted curves are Calculated at constant temperature and negative hydrostatic pressure using the measured and the calculated mode Gr~neisen parameters, respectively. (SCHMELZERet a l . , 1981) Recently we performed i n e l a s t i c neutron scattering on anthracene (a f l a t molecule of three benzene rings) (DORNERet a l .
120 -" ........ 4 Z~A-F ~@~Y ~R~C', ~F '-~ "A REDUCEDWAVEVECTORCOORDINATE Calculated phonon dispersion curves f o r naphthalene with the Buckingham potential (53) using WP. For experimental curves see Fig. 13. The f u l l and dashed lines denote symmetric and antisymmetric phonon branches with respect to the twofold screw axis in [0~0] direction and to the glide plane in [~00] and [00~] directions (NATKANIEC et a l . 38 THz) comes out too large. This defect of the model can be improved by introduction of a multipole moment (RIGHINI et a l .