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@ARTICLE{Kuzmin:637532,
      author       = {Kuzmin, Alexei and Dimitrijevs, Vitalijs and Pudza, Inga
                      and Kalinko, Aleksandr},
      title        = {{T}he use of the correlated {D}ebye model for {EXAFS}-based
                      thermometry in bcc and fcc metals},
      reportid     = {PUBDB-2025-03860, arXiv:2410.19342},
      year         = {2025},
      abstract     = {Extended X-ray absorption fine structure (EXAFS) spectra
                      are sensitive to thermal disorder and are often used to
                      probe local lattice dynamics. Variations in interatomic
                      distances induced by atomic vibrations are described by the
                      temperature-dependent mean-square relative displacement
                      (MSRD), also known as the Debye-Waller factor. In this
                      study, we evaluated the feasibility of addressing the
                      inverse problem, i.e., determining the sample temperature
                      from the analysis of its EXAFS spectrum using the
                      multiple-scattering formalism, considering contributions up
                      to the 4th-7th coordination shell. The method was tested on
                      several monatomic metals (bcc Cr, Mo, and W; fcc Cu and Ag),
                      where the correlated Debye model of lattice dynamics
                      provides a fairly accurate description of thermal disorder
                      effects up to distant coordination shells. We found that the
                      accuracy of the method strongly depends on the temperature
                      range. The method fails at low temperatures, where quantum
                      effects dominate and MSRD values change only slightly.
                      However, it becomes more accurate at higher temperatures,
                      where the MSRD shows a near-linear dependence on
                      temperature.},
      cin          = {DOOR ; HAS-User},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / FS-Proposal: I-20220209
                      EC (I-20220209-EC) / CAMART2 - Centre of Advanced Materials
                      Research and Technology Transfer CAMART² (739508)},
      pid          = {G:(DE-HGF)POF4-6G3 / G:(DE-H253)I-20220209-EC /
                      G:(EU-Grant)739508},
      experiment   = {EXP:(DE-H253)P-P65-20150101},
      typ          = {PUB:(DE-HGF)25},
      eprint       = {2410.19342},
      howpublished = {arXiv:2410.19342},
      archivePrefix = {arXiv},
      SLACcitation = {$\%\%CITATION$ = $arXiv:2410.19342;\%\%$},
      doi          = {10.3204/PUBDB-2025-03860},
      url          = {https://bib-pubdb1.desy.de/record/637532},
}