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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(More)
Pressure can change the properties of atoms and bonding patterns, leading to the synthesis of novel compounds with interesting properties. The intermetallic lithium-zinc (Li-Zn) compounds have attracted increasing attention because of their fascinating mechanical properties and widespread applications in rechargeable Li-ion batteries. Using the effective(More)
Iodine is an element of fascinating chemical complexity, and numerous hypervalent iodine compounds reveal vital value of applications in organic synthesis. Investigation of the synthesis and application of new type of hypervalent iodine compound has extremely significant meaning. Here, the formation of CsIn (n > 1) compounds is predicted up to 200 GPa using(More)
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