Rvg. Rao et R. Venkatesh, COMPUTATION OF COLLECTIVE EXCITATIONS AND ELASTIC-CONSTANTS OF EXPANDED TRIGONAL TELLURIUM, Physica. B, Condensed matter, 190(4), 1993, pp. 417-424
The potential function derived from experimental structure factor data
gives a repulsive minimum and also an attractive minimum. These two m
inima correspond to the first and second nearest-neighbour distances.
Similar results have been obtained through the use of Percus-Yevick (P
Y) and hyper-netted chain (HNC) equations. The Hafner molecular dynami
cs results also show a similar trend. The first, second and third deri
vatives of the potential function have been obtained from the expressi
on of the potential function. The first and second derivatives have be
en used to compute the phonon frequencies using Bhatia and Singh's (BS
) method. The phonon frequencies obtained from Hubbard and Beeby's (HB
) method show similar results. The elastic constants have also been ca
lculated and the values obtained for C-11 by different methods are in
good agreement. The Gruneisen constant has been calculated by two diff
erent methods which are in very good agreement with each other. From t
he Gruneisen constant the pressure derivative of the diffusion coeffic
ient has been obtained and has been compared with that of Swalin's equ
ation. The results are in excellent agreement with each other.