4.2 Article

Thermal and elastic properties of thorium pnictides under high pressure

Journal

PHASE TRANSITIONS
Volume 83, Issue 6, Pages 404-418

Publisher

TAYLOR & FRANCIS LTD
DOI: 10.1080/01411594.2010.491433

Keywords

rare-earth compounds; high-pressure phase transition; equation of state; elastic properties; thermophysical properties

Funding

  1. DST, New Delhi

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Thorium pnictides crystallise in Fm3m space group at ambient condition and transform to Pm3m space group under pressure. We have investigated the phase transition, elastic and thermophysical properties of thorium pnictides by means of a modified charge-transfer potential model. This model incorporates Coulomb effect modified by Coulomb screening effect due to the delocalisation of the electron of Th-ion (charge-transfer) and covalency along with repulsion extended up to next-nearest neighbours. Present model is capable of explaining the Cauchy's discrepancy correctly. The calculated values of the phase-transition pressure (PT = 70.6, 29.6, 24.3 and 11.5 GPa) and relative volume collapse (6.37, 11.22, 9.92 and 9.27%) for ThN, ThP, ThAs and ThSb, respectively, are in good agreement with the experimental data. The equation of state has been plotted to obtain phase diagram.

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