Browsing Zinātniskie raksti (CFI) / Scientific articles by Subject "Copper nitride"

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    • Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics 

      Bocharov, Dmitry; Anspoks, Andris; Timoshenko, Janis; Kalinko, Aleksandr; Krack, Matthias; Kuzmin, Alexei (Elsevier Ltd, 2020)
      Cubic copper nitride (Cu3N) has anti-perovskite structure, and its properties are strongly affected by anisotropic thermal vibrations of copper atoms. Ab initio molecular dynamics (AIMD) simulations were performed in the ...