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@ARTICLE{Timoshenko:421185,
      author       = {Timoshenko, Janis and Anspoks, Andris and Kalinko, Alexandr
                      and Kuzmin, Alexei},
      title        = {{T}hermal disorder and correlation effects in
                      anti-perovskite-type copper nitride},
      journal      = {Acta materialia},
      volume       = {129},
      issn         = {1359-6454},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {PUBDB-2019-01894},
      pages        = {61 - 71},
      year         = {2017},
      note         = {© Acta Materialia Inc},
      abstract     = {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 copper
                      nitride (Cu$_3$N) with the goal to extract information on
                      the thermal disorder and interatomic correlations in
                      anti-perovskite-type crystal lattice. The obtained results
                      are discussed in comparison with metallic copper and
                      perovskite-type rhenium trioxide. The analysis of EXAFS
                      spectra suggests that the anisotropy of copper atom
                      vibrations is significantly enhanced upon increasing
                      temperature, leading to pronounced tilting motion of NCu$_6$
                      octahedra. Strong correlation in the motion of atoms was
                      found along –N–Cu–N– atomic chains but it reduces
                      rapidly with an increase of interatomic distance. Finally,
                      anticorrelated motion of neighboring Cu atoms occurs along
                      Cu–Cu bonds and is consistent with breathing-type motion
                      of NCu$_6$ octahedra.},
      cin          = {DOOR},
      ddc          = {670},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      experiment   = {EXP:(DE-H253)D-C-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000400033900007},
      doi          = {10.1016/j.actamat.2017.02.074},
      url          = {https://bib-pubdb1.desy.de/record/421185},
}