Density Functional Study of the L1_0 - alpha-IrV Transition in IrV and RhV

Michael J. Mehl, Gus L. W. Hart, Stefano Curtarolo

Both IrV and RhV crystallize in the alpha-IrV structure, with a transition to the higher symmetry L1_0 structure at high temperature, or with the addition of excess Ir or Rh. Here…