BARC/PUB/10//0936

 
 

Thermal Expansion in Zircon and Scheelite Phases of ThGeO4 By X-ray Diffraction and Lattice Dynamics

 
     
 
Author(s)

Bose, P. P.; Mittal, R.; Chaplot, S. L.; Patwe, S. J.; Achary, S. N.; Tyagi, A. K.

ABSTRACT

The compound ThGeO4 can be stabilized in both the zircon and scheelite phases at ambient conditions. We have measured thermal expansion in both the phases of ThGeO4 by high temperature X-ray diffraction experiments carried out up to 1273 K. We find that thermal expansion in scheelite phase is about 50 % more in comparison of the zircon phase. A transferable interatomic potential model is used for calculation of phonon spectra and thermal expansion in the two phases of ThGeO4. The calculations are able to reproduce large difference in thermal expansion of the two phases of ThGeO4 and enable microscopic understanding in them.

 
 
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