| Crystal Research and Technology |
The elastic, piezoelectric and dielectric constants of pentaerythritol, C (CH2OH)4, (PET) have been computed as a function of pressure employing the structural data of KATRUSIAK and the lattice dynamical model of RAMAMOORTHY and KRISHNAMURTHY. Using these electromechanical constants, the Young’s modulus, the linear compressibility, the bulk modulus and the acoustic wave velocities are computed for various high pressures. The pressure dependence of the vibration spectrum of PET using rigid and non-rigid lattice models is also obtained. The anomalous variation of these electromechanical and other physical quantities predict the most probable pressure for phase transition in PET to be around 280 MPa. The mechanism of the transition and the variation in the physical behaviour accompanying the transition are discussed.
Keywords: pressure, pentaerythritol