BARC/PUB/2012/0871

 
 

High Pressure Phase Transitions in Yttria, Y2O3

 
     
 
Author(s)

Bose, P. P.; Gupta, M. K.; Mittal, R.; Rols, S.; Achary, S. N.; Tyagi, A. K.; Chaplot, S. L.
(SSPD;ChD)

Source

Journal of Physics-Conference Series, 2012. Vol. 377 (1): pp. 012036

ABSTRACT

We have carried out neutron inelastic scattering measurement of the phonon density of states and lattice dynamic calculations for Y2O3 using ab-initio density functional perturbation theory and interatomic potential model. The calculations are found to be in good agreement with experimental data, indicating that the potential model can be used for the calculation of phase diagram of Y2O3. The model is then used for free energy calculation to understand the stability of various phases as a function of pressure and temperature.

 
 
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