High Pressure Structural Transitions in Cm Metal

摘要

The high pressure behaviour of Cm metal is investigated theoretically using ab initio electronic structure methods. Our calculations reproduce the structural phase transitions which are obsereved in recent experiment performed by Heatman et al. [Science 309, 110 (2005)]. Calculated transition pressures are in reasonable agreement with the experimental values. Calculations performed for an antiferromagnetic state is essential to reproduce the stability of Cm-Ⅲ phase. Thus, the stability of the Cm-Ⅲ phase is related to the spin polarization of its 5f electrons.