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19982016
most citedEntropy driven stabilization of energetically unstable crystal structures explained from first principles theory

421 citations · 809 across the 13 of their papers we have counts for

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cond-mat.mtrl-sci2002★ 22 cited

First-Principles-Based Thermodynamic Description of Solid Copper Using the Tight-Binding Approach

Sven P. Rudin, M. D. Jones, C. W. Greeff +1

A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the r…