Browsing by Author "Levy, O"

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Comprehensive search for new phases and compounds in binary alloy systems based on platinum-group metals, using a computational first-principles approach

Hart, GLW; Curtarolo, S; Massalski, TB; Levy, O (Physical Review X, 2014-02-14)

We report a comprehensive study of the binary systems of the platinum-group metals with the transition metals, using high-throughput first-principles calculations. These computations predict stability of new compounds in ...
Structure maps for hcp metals from first-principles calculations

Levy, O; Hart, GLW; Curtarolo, S (Physical Review B - Condensed Matter and Materials Physics, 2010-05-10)

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 use experimental data to construct structure ...