dc.contributor.author | Kuzmin, Alexei | |
dc.contributor.author | Timoshenko, Janis | |
dc.contributor.author | Kalinko, Aleksandr | |
dc.contributor.author | Jonane, Inga | |
dc.contributor.author | Anspoks, Andris | |
dc.date.accessioned | 2020-08-26T11:44:09Z | |
dc.date.available | 2020-08-26T11:44:09Z | |
dc.date.issued | 2020 | |
dc.identifier.issn | 0969-806X | |
dc.identifier.uri | https://dspace.lu.lv/dspace/handle/7/52486 | |
dc.description.abstract | The contribution of static and thermal disorder is one of the largest challenges for the accurate determination of the atomic structure from the extended X-ray absorption fine structure (EXAFS). Although there are a number of generally accepted approaches to solve this problem, which are widely used in the EXAFS data analysis, they often provide less accurate results when applied to outer coordination shells around the absorbing atom. In this case, the advanced techniques based on the molecular dynamics and reverse Monte Carlo simulations are known to be more appropriate: their strengths and weaknesses are reviewed here. | en_US |
dc.description.sponsorship | Latvian Council of Science project no. lzp-2018/2-0353; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART² | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Elsevier Ltd. | en_US |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/739508/EU/Centre of Advanced Material Research and Technology Transfer/CAMART² | en_US |
dc.relation.ispartofseries | Radiation Physics and Chemistry;175 | |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | Research Subject Categories::NATURAL SCIENCES:Physics | en_US |
dc.subject | Extended X-ray absorption fine structure (EXAFS) | en_US |
dc.subject | Molecular dynamics | en_US |
dc.subject | Reverse Monte Carlo | en_US |
dc.subject | Static and thermal disorder | en_US |
dc.subject | X-ray absorption spectrocopy | en_US |
dc.title | Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach | en_US |
dc.type | info:eu-repo/semantics/article | en_US |
dc.identifier.doi | 10.1016/j.radphyschem.2018.12.032 | |