Search Results for author: Emma Ehrenreich-Petersen

Found 1 papers, 0 papers with code

High pressure computational search of trivalent lanthanide di-nitrides

no code implementations17 Dec 2020 Francesca Menescardi, Emma Ehrenreich-Petersen, Davide Ceresoli

We then computed thermodynamic and dynamical stability of these structures compared to the decomposition reactions and we found that the compound undergoes two structural transitions, the latter showing the formation N$_{4}$ chains.

Materials Science Chemical Physics Computational Physics

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