Abstract
In the present work structural and mechanical properties of ThC and ThO compounds have been carried out using desirable modified inter-ionic potential theory (MIPT), which parametrically includes the effect of Coulomb screening. The transition from rock salt to caesium chloride occurs around 40.0 GPa and 65.0 GPa in the case of ThC and ThO respectively. We have also calculated bulk (B0), Young (E), and shear moduli (G), Poisson ratio (υ) and anisotropic ratio (A) in NaCl-type structure for these compounds and differentiate them with other experimental and theoretical results which show a good agreement.
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