Abstract

Pressure-induced structural phase transitions at high-pressure in monosulfides of thorium, uranium, neptunium and plutonium (AnS) have been studied theoretically by an inter-ionic potential theory with modified ionic charge introduced to include the Coulomb screening effect due to localized ‘f’ electrons. These AnS compounds undergo a phase transition from sodium chloride (NaCl) to cesium chloride (CsCl) structure at a very high-pressure. The present theoretical investigation carried out up to 120 GPa reveals that these compounds undergo NaCl–CsCl phase transitions at 100, 81, 75 and 105 GPa for ThS, US, NpS and PuS, respectively. The first-order pressure derivatives calculated from the present theory agree well with observed data.

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