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cond-mat.mtrl-sci2010
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…
cond-mat.mtrl-sci2010★ 50 cited
Structure maps for hcp metals from first principles calculations
Ohad Levy, Gus Hart, Stefano Curtarolo
The ability to predict the existence and crystal type of ordered structures of materials from their components is a major challenge of current materials research. Empirical methods…