Browsing Zinātniskie raksti (CFI) / Scientific articles by Subject "Cu3N"

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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 ...

    • Origin of Pressure-Induced Metallization in Cu3N: An X-ray Absorption Spectroscopy Study 

      Kuzmin, Alexei; Anspoks, Andris; Kalinko, Aleksandr; Timoshenko, Janis; Nataf, Lucie; Baudelet, François; Irifune, Tetsuo (Wiley-VCH Verlag, 2018)
      High-pressure (0–26.7 GPa) Cu K-edge X-ray absorption spectroscopy is used to study possible structural modifications of anti-perovskite-type copper nitride (Cu3N) crystal lattice. The analysis of X-ray absorption near-edge ...

    • Thermal disorder and correlation effects in anti-perovskite-type copper nitride 

      Timoshenko, Janis; Anspoks, Andris; Kalinko, Alexandr; Kuzmin, Alexei (Elsevier Ltd, 2017)
      Reverse Monte Carlo simulations coupled with evolutionary algorithm were employed for the analysis of the temperature dependent (10–300 K) Cu K-edge extended X-ray absorption fine structure (EXAFS) spectra of polycrystalline ...