Role of temperature in the elastic and anharmonic properties of ThSe at high pressure
Abstract
The structural, elastic and anharmonic properties of ThSe which crystallizes in NaCl structure has been analyzed by performing the calculations based on a realistic interaction potential model. We have computed the transition pressure, volume drop, elastic properties and thermophysical properties of present compound at different pressures and temperatures and found results to be in suitable agreement with available experimental and theoretical data. This is probably the first time when elastic and anharmonic properties of this compound are investigated under high pressure and high temperature by using a single model.
- Publication:
-
2nd International Conference on Condensed Matter and Applied Physics (ICC 2017)
- Pub Date:
- May 2018
- DOI:
- 10.1063/1.5032651
- Bibcode:
- 2018AIPC.1953d0031K