COMPUTER-SIMULATION OF DIFFUSE-SCATTERING FROM KSCN CRYSTAL

The diffuse scattering functions for two-dimensional model of KSCN cry stal has been studied by the molecular-dynamics simulation technique. We show that below the tetragonal orthorhombic phase transition the wi dth of the diffuse peak remains temperature independent, although its intensity increases when the temperature approaches T-c from below. Di rect observations of crystal fluctuations indicate that with a rise in temperature the size of fluctuations, which is of the order of four l attice constants, remains constant but their density increases. These simulations are in agreement with results of neutron scattering measur ements.