83 citations · 334 across the 11 of their papers we have counts for
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cond-mat.mtrl-sci2016★ 23 cited
A First-Principles Comparative Study of Lithium, Sodium, and Magnesium Storage in Pure and Gallium-Doped Germanium: Competition between Interstitial and Substitutional Sites
Fleur Legrain, Sergei Manzhos
Thermodynamics and kinetics of Li, Na, and Mg storage in Ge is studied ab initio. The most stable configurations can consist of tetrahedral, substitutional, or a combination of the…
cond-mat.mtrl-sci2016★ 41 cited
Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations
Fleur Legrain, Sergei Manzhos
The transition temperature between the low-temperature alpha phase of tin to beta tin is close to the room temperature (Tab =13C), and the difference in cohesive energy of the two…