Asymmetry Localized Modes in an Anharmonic Sphalerite-Structure Lattice

We numerically study the intrinsic localized vibrational modes in a diatomic chain with different masses and alternating force constants between nearest neighbors.This model simulates a row of atoms in the<111>direction of sphalerite-structure crystal.We found that the harmonic and quartic anharmonic terms in the nearest-neighbor interaction potential produce the intrinsic localized modes with frequencies above the optical branch or in the gap of the linear spectrum,the distribution patterns of atom amplitudes are asymmetry with a form of quasi-even-or quasi-odd-parity,and the inclusion of cubic term in the potential lowers the frequencies of the modes and introduces static displacements for the atoms.