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@ARTICLE{Kuzmin:632241,
author = {Kuzmin, Aleksejs and Dimitrijevs, Vitalijs and Pudza, Inga
and Kalinko, Aleksandr},
title = {{T}he {U}se of the {C}orrelated {D}ebye {M}odel for
{E}xtended {X}‐{R}ay {A}bsorption {F}ine
{S}tructure‐{B}ased {T}hermometry in {B}ody‐{C}entered
{C}ubic and {F}ace‐{C}entered {C}ubic {M}etals},
journal = {Physica status solidi / A},
volume = {222},
number = {14},
issn = {1862-6300},
address = {Weinheim},
publisher = {Wiley-VCH},
reportid = {PUBDB-2025-02167, arXiv:2410.19342},
pages = {2400623},
year = {2024},
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. Herein, 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 is evaluated. The method is tested on several
monatomic metals (body-centered cubic Cr, Mo, and W;
face-centered cubic 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. It is 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},
ddc = {530},
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)16},
eprint = {2410.19342},
howpublished = {arXiv:2410.19342},
archivePrefix = {arXiv},
SLACcitation = {$\%\%CITATION$ = $arXiv:2410.19342;\%\%$},
doi = {10.1002/pssa.202400623},
url = {https://bib-pubdb1.desy.de/record/632241},
}