Lattice Dynamics Simulation of CsH₂PO₄ Crystal

Abstract

The simulation of CsH ₂ PO ₄ lattice dynamics in paraelectric phase was carried out within the semi-phenomenological approach. Phonon frequencies at Brillouin zone centre, LO-TO splitting of polar modes, phonon density of states, partial density of states associated with a certain type of atoms and specific heat were calculated. A reasonable agreement between the computed values and experimental data reveals an acceptability of the suggested approach.

Keywords:

• Lattice dynamics
• phonon density of states
• CsH₂PO₄

PACS numbers:

• 63.20.Dj
• 65.40.Ba
• 77.84.Fa