Abstract
The structural phase transition at high pressure of heavy rare earth monoantimonides (RESb; RE = Ho, Er and Tm) compounds have been studies theoretically using self‐consistent tight binding linear muffin tin orbital method. These compound show metallic behavior under ambient condition and undergo a structural phase transition from B1 to B2 phase at high pressure. We predict a structural phase transition in the pressure range of 30.0 to 35.0 GPa. Apart form this, the ground state properties like lattice parameter and bulk modulas are calculated and compared with the available theoretical and experimental results.
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