Anomalous lattice-dynamical properties of Zr-Nb alloys observed by neutron inelastic scattering have been analyzed based on the viewpoint that the anomaly is due to the strong lattice anharmonicity in these alloys. The large-amplitude fluctuations of the atoms in the anharmonic lattice are divided into kinematical and dynamical parts. The former is characterized by the quasistatic heterophase fluctuations, while the latter has characteristics of ordinary phonons. The scattering function due to the dynamical fluctuations under excitation of heterophase fluctuations is computed with use of molecular dynamics. The results reproduce the anomalous characteristics of the observed spectra of neutron inelastic scattering.

• Received 11 January 1990

DOI:https://doi.org/10.1103/PhysRevB.42.9420