Wei S1, Zhu C, Li Q, Zhou Y, Li Q, Ma Y.
Phys Chem Chem Phys. 2014 Sep 7;16(33):17924-9. doi: 10.1039/c4cp02452d.The high-symmetry cubic cesium chloride (CsCl) structure with a space group of Pm3¯m (Z = 1) is one of the prototypical AB-type compounds, which is shared with cesium halides and many binary metallic alloys. The study of high-pressure evolution of the CsCl phase is of fundamental importance in helping to understand the structural sequence and principles of crystallography. Here, we have systematically investigated the high-pressure structural transition of cesium halides up to 200 GPa using an effective CALYPSO algorithm. Read More