Аннотация

In this work, we have performed atomistic simulations in the REF3 (RE = La, Ce, Pr, Nd) compounds with tysonite structure in order to investigate structural phase transitions (SPT) under pressure variation. For RE = La and Ce we have observed the known phase transition at around 20 GPa, when the tysonite structure changes to tetragonal I4/mmm. The same SPT was also observed for the other compounds (RE = Pr and Nd) at around 20 GPa. (c) 2005 Elsevier Ltd. All rights reserved.

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